| SpectraBase Compound ID | 7VLeAtgPpxg |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3 |
| InChIKey | JSZMBOGWCYQLCV-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EUh40MwVlar |
|---|---|
| Name | 1-(2-Hydroxyethyl-1-thio)-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3 |
| InChIKey | JSZMBOGWCYQLCV-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(S)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955303 |