| SpectraBase Compound ID | HXfoYRAug7Z |
|---|---|
| InChI | InChI=1S/C13H12O2S/c1-10-9-12(7-8-13(10)14)16(15)11-5-3-2-4-6-11/h2-9,14H,1H3 |
| InChIKey | SUKYKFCXZJFPGI-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C13H12O2S |
| Exact Mass | 232.055801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EFUXDNPB9MF |
|---|---|
| Name | 4-(Phenylsulfinyl)-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.055800798 u |
| Formula | C13H12O2S |
| InChI | InChI=1S/C13H12O2S/c1-10-9-12(7-8-13(10)14)16(15)11-5-3-2-4-6-11/h2-9,14H,1H3 |
| InChIKey | SUKYKFCXZJFPGI-UHFFFAOYSA-N |
| Molecular Weight | 232.297 g/mol |
| SMILES | OC=1C=CC(S(C2=CC=CC=C2)=O)=CC1C |
| Spectrum/Structure Validation Score (Raman) | 0.746979 |