![4-[(Trifluoromethyl)thio]benzoyl chloride](/api/spectrum/8W52Wh38mpj/structure.png?h=300&w=458 "4-[(Trifluoromethyl)thio]benzoyl chloride")
| SpectraBase Compound ID | 948HqP2uU9d |
|---|---|
| InChI | InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H |
| InChIKey | BCMFTOCCLOAGBP-UHFFFAOYSA-N |
| Mol Weight | 240.63 g/mol |
| Molecular Formula | C8H4ClF3OS |
| Exact Mass | 239.962348 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8W52Wh38mpj |
|---|---|
| Name | 4-[(Trifluoromethyl)thio]benzoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.962348111 u |
| Formula | C8H4ClF3OS |
| InChI | InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H |
| InChIKey | BCMFTOCCLOAGBP-UHFFFAOYSA-N |
| Molecular Weight | 240.627 g/mol |
| SMILES | C(C1=CC=C(C=C1)SC(F)(F)F)(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809782 |