| SpectraBase Compound ID | 5GF8ve3mbAk |
|---|---|
| InChI | InChI=1S/C10H14OS/c1-10(2,11)7-8-5-3-4-6-9(8)12/h3-6,11-12H,7H2,1-2H3 |
| InChIKey | XPCGNHSCMDKUML-UHFFFAOYSA-N |
| Mol Weight | 182.28 g/mol |
| Molecular Formula | C10H14OS |
| Exact Mass | 182.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNSMvy08OWS |
|---|---|
| Name | 2-Methyl-1-(2-sulfanylphenyl)-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.076536244 u |
| Formula | C10H14OS |
| InChI | InChI=1S/C10H14OS/c1-10(2,11)7-8-5-3-4-6-9(8)12/h3-6,11-12H,7H2,1-2H3 |
| InChIKey | XPCGNHSCMDKUML-UHFFFAOYSA-N |
| Molecular Weight | 182.281 g/mol |
| SMILES | C=1(CC(O)(C)C)C(S)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869008 |