| SpectraBase Compound ID | 6PxdmGQCI2D |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4,10-11H,5H2,1-2H3 |
| InChIKey | KXBVWXBKFNILQH-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K0faN7i5DX9 |
|---|---|
| Name | 2-Hydroxy-3-methyl-5-(methylthio)benzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-6-3-8(12-2)4-7(5-10)9(6)11/h3-4,10-11H,5H2,1-2H3 |
| InChIKey | KXBVWXBKFNILQH-UHFFFAOYSA-N |
| SMILES | OC1=C(CO)C=C(C=C1C)SC |
| Spectrum/Structure Validation Score (Raman) | 0.979978 |