| SpectraBase Compound ID | JEXtLZKTcQu |
|---|---|
| InChI | InChI=1S/C11H14O2S/c1-11(2,10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13) |
| InChIKey | JUJFTDYFKXDNHY-UHFFFAOYSA-N |
| Mol Weight | 210.29 g/mol |
| Molecular Formula | C11H14O2S |
| Exact Mass | 210.071451 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2xT93Ls2tbo |
|---|---|
| Name | 2-(Benzylthio)-2-methylpropionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.071450863 u |
| Formula | C11H14O2S |
| InChI | InChI=1S/C11H14O2S/c1-11(2,10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13) |
| InChIKey | JUJFTDYFKXDNHY-UHFFFAOYSA-N |
| Molecular Weight | 210.291 g/mol |
| SMILES | OC(C(SCC1=CC=CC=C1)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.965196 |