tert-Butylbenzene
Compound with spectra: 42 NMR, 7 FTIR, 1 Raman, 17 MS (GC), and 2 Near IR
| SpectraBase Compound ID | 2HsR4iOMnca |
|---|---|
| InChI | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | YTZKOQUCBOVLHL-UHFFFAOYSA-N |
| Mol Weight | 134.22 g/mol |
| Molecular Formula | C10H14 |
| Exact Mass | 134.10955 g/mol |
| Copyright | Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | PHILLIPS PETROLEUM COMPANY, BARTLESVILLE, OKLAHOMA |
| Solvent | CCl4 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | B90602 |
| Solvent | CDCl3 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Phillips Petroleum Company |
| Technique | NEAT |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO |
| Technique | NEAT |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | PHILLIPS PETROLEUM COMPANY, BARTLESVILLE, OKLAHOMA |
| Technique | CAPILLARY CELL: NEAT |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | B90602 |
| Technique | Neat |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | B90602 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-665-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | HE-1982-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-1542-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-6277-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-674-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NW-2408-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | LQ-1992-590-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | WS-1986-440-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EK-1999-507-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | IC-158-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-7133-0 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | NT |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 chloroform-d |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 chloroform-d |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C6H6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ETHER |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3OH |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | NEAT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | B90602 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Chem Service, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | O-763 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
- 2-Methyl-2-phenylpropane
- Trimethylphenylmethane
- Pseudobutylbenzene
- (1,1-Dimethylethyl)benzene
- 2-Phenylisobutane
- Benzene, tert-butyl-
- TERT.-BUTYLBENZOL
- (CH3)3C-C6H5;TERT.-BUTYLPHENYL
- Benzene, (1,1-dimethylethyl)-
- BENZENE, (1,1-DIMETHYLETHYL-2,2,2-D3)-
- t-Butylbenzene
- Dimethylethylbenzene
- Phenyltrimethylmethane
- Tertiary-butylbenzene
- 2-Phenyl-2-methylpropane
- HSDB 5315
- EINECS 202-632-4
- NSC 6557
- AI3-00118
- (2-Methyl-2-propanyl)benzene
Diiron(I) 2-(1-methanidyl-1-methylethyl)cyclopenta-2,4-dien-1-ide hexacarbonyl
Bis(eta5-tert-butylcyclopentadienyl)-cis-1,2-ethendithiolatotitan(IV)
Cobalt, [(1,2,3,4,5-.eta.)-1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl(trimethylphosphine)-
1,4-Di-tert-butylbenzene
ALPHA-PHENYLISOPROPYL CATION
Cumyl anion
Palladium, .pi.-cyclopentadienyl(2-phenyl-.pi.-allyl)-
Phenibut MS3_2
Pdl 2-400, polymethylstyrene, polyvinyltoluene (sample from 1955)
Phenyl-methyl-carbenium cation
| Title | Journal or Book | Year |
|---|---|---|
| Substituent effects on the N.M.R. spectra of carboxylic acid derivatives. III. Correlation of 13C N.M.R. spectra of para substituted acetanilides and 4'-nitrophenyl 4-substituted benzoates with infrared carbonyl stretching frequencies, 1H N.M.R., rate and equilibrium data | Australian Journal of Chemistry | 1984 |
| Electronic effects of halogen-substituted methyl groups | Australian Journal of Chemistry | 1980 |
| 13C substituent effects in monosubstituted benzenes | Organic Magnetic Resonance | 1979 |
| Zur Interpretation29Si-NMR-chemischer Verschiebungen | Organic Magnetic Resonance | 1973 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.
Sigma-Aldrich Library of FT-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of FT-IR Spectra is a comprehensive collection of FT-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
Sigma Aldrich NMR Library
Author: Sigma Aldrich
The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
KnowItAll GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.