Trifluoromethoxy-benzene
Compound with spectra: 6 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | 3vLFFH4l3Zd |
|---|---|
| InChI | InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H |
| InChIKey | GQHWSLKNULCZGI-UHFFFAOYSA-N |
| Mol Weight | 162.11 g/mol |
| Molecular Formula | C7H5F3O |
| Exact Mass | 162.029249 g/mol |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CS2:C6D12 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| 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 | 337064 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | W. Sheppard, E. I. Du Pont De Nemours & Company, Wilmington, Delaware |
| 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 | 337064 |
| Technique | Neat |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-11267-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | ACI-58-SM40-3o |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 337064 |
| 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 | 337064 |
| Solvent | CDCl3 |
- alpha,alpha,alpha-Trifluoroanisole
- ANISOLE, A,A,A-TRIFLUORO-,
- Phenyl trifluoromethyl ether
| Title | Journal or Book | Year |
|---|---|---|
| Long-range 1H,19F and 13C,19F coupling constants and molecular orbital computations as indicators of internal motion in C6H5OCF3 and its 4-fluoro derivative | Canadian Journal of Chemistry | 1991 |
This compound is available in the following databases:
Wiley SmartSpectra Raman Database Collection
Author: Wiley
Designed for use with Wiley’s KnowItAll Raman Spectral Library collection, this computed Raman database can be used in unknown identification to expand your available chemical compound coverage and improve your analytical workflow. 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.