![(2E)-4-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxo-2-butenoic acid](/api/spectrum/KzPBH6TQxAY/structure.png?h=300&w=458 "(2E)-4-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxo-2-butenoic acid")
| SpectraBase Compound ID | FYmDGQVBKrP |
|---|---|
| InChI | InChI=1S/C14H12N2O4S/c1-20-10-4-2-9(3-5-10)11-8-21-14(15-11)16-12(17)6-7-13(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)/b7-6+ |
| InChIKey | NAIAOWDQMQXRQN-VOTSOKGWSA-N |
| Mol Weight | 304.32 g/mol |
| Molecular Formula | C14H12N2O4S |
| Exact Mass | 304.051778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzPBH6TQxAY |
|---|---|
| Name | (2E)-4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxo-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.051778044 u |
| Formula | C14H12N2O4S |
| InChI | InChI=1S/C14H12N2O4S/c1-20-10-4-2-9(3-5-10)11-8-21-14(15-11)16-12(17)6-7-13(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)/b7-6+ |
| InChIKey | NAIAOWDQMQXRQN-VOTSOKGWSA-N |
| SMILES | N(C1=NC(C2=CC=C(C=C2)OC)=CS1)C(\C=C\C(=O)O)=O |