| SpectraBase Compound ID | bNUB2ztAx8 |
|---|---|
| InChI | InChI=1S/C9H7F3S/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h2-6H,1H2 |
| InChIKey | XSABJVHLIFYKPA-UHFFFAOYSA-N |
| Mol Weight | 204.21 g/mol |
| Molecular Formula | C9H7F3S |
| Exact Mass | 204.022056 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CFKyQB4Abqf |
|---|---|
| Name | 4-Trifluoromethyl-phenylvinyl-sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.022055888 u |
| Formula | C9H7F3S |
| InChI | InChI=1S/C9H7F3S/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h2-6H,1H2 |
| InChIKey | XSABJVHLIFYKPA-UHFFFAOYSA-N |
| Molecular Weight | 204.210 g/mol |
| SMILES | C(SC1=CC=C(C(F)(F)F)C=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907919 |