| SpectraBase Compound ID | CQQC4sWJ8Yt |
|---|---|
| InChI | InChI=1S/C12H9NOS/c14-11(10-4-2-1-3-5-10)6-7-12-13-8-9-15-12/h1-9H/b7-6+ |
| InChIKey | UPUXQBAYWAUOMK-VOTSOKGWSA-N |
| Mol Weight | 215.27 g/mol |
| Molecular Formula | C12H9NOS |
| Exact Mass | 215.040485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZ930X4Gkxi |
|---|---|
| Name | 1-Phenyl-3-(2-thiazolyl)prop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.040485087 u |
| Formula | C12H9NOS |
| InChI | InChI=1S/C12H9NOS/c14-11(10-4-2-1-3-5-10)6-7-12-13-8-9-15-12/h1-9H/b7-6+ |
| InChIKey | UPUXQBAYWAUOMK-VOTSOKGWSA-N |
| Molecular Weight | 215.270 g/mol |
| SMILES | C(\C=C\C=1SC=CN1)(=O)C=1C=CC=CC1 |