| SpectraBase Compound ID | IyCiKs3wF2B |
|---|---|
| InChI | InChI=1S/C12H11NO2S/c1-13-11(15)8-16-12(13)7-10(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3/b12-7- |
| InChIKey | SVEWKVXLGHGLIT-GHXNOFRVSA-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 | 3zzuS5P4YYC |
|---|---|
| Name | 3-Methyl-2-phenacylidon-thiazolidin-4-on |
| 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/c1-13-11(15)8-16-12(13)7-10(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3/b12-7- |
| InChIKey | SVEWKVXLGHGLIT-GHXNOFRVSA-N |
| Molecular Weight | 233.285 g/mol |
| SMILES | C1C(N(C)\C(S1)=C\C(C1=CC=CC=C1)=O)=O |