| SpectraBase Compound ID | 6wBVd2bbrTx |
|---|---|
| InChI | InChI=1S/C13H10N2O3S/c16-11(6-7-12(17)18)15-13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,14,15,16)/b7-6+ |
| InChIKey | QHOGPVCLQLWLMW-VOTSOKGWSA-N |
| Mol Weight | 274.29 g/mol |
| Molecular Formula | C13H10N2O3S |
| Exact Mass | 274.041213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MYY14f19gE |
|---|---|
| Name | but-2-Endioic acid, monoamide, N-(4-phenyl-2-thiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.041213361 u |
| Formula | C13H10N2O3S |
| InChI | InChI=1S/C13H10N2O3S/c16-11(6-7-12(17)18)15-13-14-10(8-19-13)9-4-2-1-3-5-9/h1-8H,(H,17,18)(H,14,15,16)/b7-6+ |
| InChIKey | QHOGPVCLQLWLMW-VOTSOKGWSA-N |
| SMILES | C1(=NC(C2=CC=CC=C2)=CS1)NC(\C=C\C(=O)O)=O |