4-Trifluoromethyl-acetophenone
Compound with spectra: 10 NMR, 8 FTIR, 2 Raman, and 1 MS (GC)
| SpectraBase Compound ID | 16JomnjKS3h |
|---|---|
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | SWKPKONEIZGROQ-UHFFFAOYSA-N |
| Mol Weight | 190.12 g/mol |
| Molecular Formula | C8H5F3O2 |
| Exact Mass | 190.024164 g/mol |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company LLC |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | <a href=https://www.sigmaaldrich.com/US/en/product/aldrich/233188>233188</a> |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 188460010 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 196894 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Technique | KBr-Pellet |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Technique | KBr-Pellet |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 188460010 |
| Technique | KBr1 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Pierce Chemical Company, Rockford, Illinois |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 196894 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 196894 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Acetone |
| Copyright | Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 188460010 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 196894 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | F4-46-S5-3l |
- 4-(Trifluoromethyl)benzoic acid
- alpha,alpha,alpha-Trifluoro-p-toluic acid
- SWKPKONEIZGROQ-UHFFFAOYSA-N
- ALPHA,ALPHA,ALPHA-TRIFLUOR-PARA-TOLYLSAEURE
- Benzoic acid, 4-(trifluoromethyl)-
- P-TOLUIC ACID, A,A,A-TRIFLUORO-,
- 4-Carboxybenzotrifluoride
4-TRIFLUOROMETHYL-BENZOIC-ACID-FLUORIDE
4-(Trifluoromethyl)benzoyl chloride
4-Trifluoromethylbenzamide
4-Tert-butylbenzoic acid
4-FLUOROFORMYLBENZOIC-ACID-FLUORIDE
4-TRIFLUOROMETHYL-ALPHA-METHYL-STYRENE
4-(trifluoromethyl)benzene-1-carboximidamide
2-{4-(Trifluoromethyl)phenyl]methoxy}acetaldehyde
(4-Trifluoromethyl-phenyl)-methyl-hydroxy-carbenium cation
(S)-1-(4-(Trifluoromethyl)phenyl)ethanol
| Title | Journal or Book | Year |
|---|---|---|
| 17O NMR Spectra of Carbonyl Compounds ArCOX: Influence of Groups X on the Polarity of the Carbonyl Group | Magnetic Resonance in Chemistry | 1997 |
| 17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates | Organic Magnetic Resonance | 1984 |
| Carbon-13-fluorine-19 coupling constants in benzotrifluorides | Organic Magnetic Resonance | 1977 |
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich Company LLC |