| SpectraBase Compound ID | 41KLv7Mi1Ti |
|---|---|
| InChI | InChI=1S/C11H16OS/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3 |
| InChIKey | RGUQSMKPPXZEGX-UHFFFAOYSA-N |
| Mol Weight | 196.31 g/mol |
| Molecular Formula | C11H16OS |
| Exact Mass | 196.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2v5wib8LcYH |
|---|---|
| Name | Phenol, o-(isopentylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.092186308 u |
| Formula | C11H16OS |
| InChI | InChI=1S/C11H16OS/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3 |
| InChIKey | RGUQSMKPPXZEGX-UHFFFAOYSA-N |
| Molecular Weight | 196.308 g/mol |
| SMILES | C(SC1=C(O)C=CC=C1)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939942 |