![Ethanone, 1-[4-(hydroxymethyl)-2-phenyl-5-thiazolyl]-](/api/spectrum/IQFBLk5Mpcp/structure.png?h=300&w=458 "Ethanone, 1-[4-(hydroxymethyl)-2-phenyl-5-thiazolyl]-")
| SpectraBase Compound ID | JFpYedbEO5Z |
|---|---|
| InChI | InChI=1S/C12H11NO2S/c1-8(15)11-10(7-14)13-12(16-11)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3 |
| InChIKey | PPPHPGUQUHDLSN-UHFFFAOYSA-N |
| Mol Weight | 233.28 g/mol |
| Molecular Formula | C12H11NO2S |
| Exact Mass | 233.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQFBLk5Mpcp |
|---|---|
| Name | Ethanone, 1-[4-(hydroxymethyl)-2-phenyl-5-thiazolyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.051049770 u |
| Formula | C12H11NO2S |
| InChI | InChI=1S/C12H11NO2S/c1-8(15)11-10(7-14)13-12(16-11)9-5-3-2-4-6-9/h2-6,14H,7H2,1H3 |
| InChIKey | PPPHPGUQUHDLSN-UHFFFAOYSA-N |
| Molecular Weight | 233.285 g/mol |
| SMILES | CC(=O)C=1SC(C2=CC=CC=C2)=NC1CO |