| SpectraBase Compound ID | BF8FnQB0eAo |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-7(10)11-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3 |
| InChIKey | SYALUPHWPQJTEM-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 82UeapLAWj9 |
|---|---|
| Name | Phenol, 4-(methylthio)-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.040150734 u |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-7(10)11-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3 |
| InChIKey | SYALUPHWPQJTEM-UHFFFAOYSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C1(=CC=C(C=C1)SC)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.889914 |