| SpectraBase Compound ID | JDlQd1a3rJ3 |
|---|---|
| InChI | InChI=1S/C9H7F3O2S/c1-15-7-4-2-6(3-5-7)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | JESYZQRXGKWXAQ-UHFFFAOYSA-N |
| Mol Weight | 236.21 g/mol |
| Molecular Formula | C9H7F3O2S |
| Exact Mass | 236.011885 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G2GrHvdTWIA |
|---|---|
| Name | 4-(Methylmercapto)phenol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.011885126 u |
| Formula | C9H7F3O2S |
| InChI | InChI=1S/C9H7F3O2S/c1-15-7-4-2-6(3-5-7)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | JESYZQRXGKWXAQ-UHFFFAOYSA-N |
| Molecular Weight | 236.208 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(F)(F)F)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834846 |