| SpectraBase Compound ID | BYmV7AWOXPi |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h2-7,11H,8H2,1H3/b3-2+ |
| InChIKey | QNLIXJRNSDQDKQ-NSCUHMNNSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7dDDiWZT876 |
|---|---|
| Name | Phenol, o-(2-butenylsulfinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-2-3-8-13(12)10-7-5-4-6-9(10)11/h2-7,11H,8H2,1H3/b3-2+ |
| InChIKey | QNLIXJRNSDQDKQ-NSCUHMNNSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C(S(=O)C1=C(O)C=CC=C1)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858715 |