![4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid](/api/spectrum/CQc6rmUwDjo/structure.png?h=300&w=458 "4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid")
| SpectraBase Compound ID | 8NN5tl2lOlw |
|---|---|
| InChI | InChI=1S/C14H14N2O4S/c1-20-10-4-2-9(3-5-10)11-8-21-14(15-11)16-12(17)6-7-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H,15,16,17) |
| InChIKey | DQAGZSIZEMPAEZ-UHFFFAOYSA-N |
| Mol Weight | 306.34 g/mol |
| Molecular Formula | C14H14N2O4S |
| Exact Mass | 306.067428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQc6rmUwDjo |
|---|---|
| Name | 4-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.067428109 u |
| Formula | C14H14N2O4S |
| InChI | InChI=1S/C14H14N2O4S/c1-20-10-4-2-9(3-5-10)11-8-21-14(15-11)16-12(17)6-7-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H,15,16,17) |
| InChIKey | DQAGZSIZEMPAEZ-UHFFFAOYSA-N |
| SMILES | N(C1=NC(C=2C=CC(OC)=CC2)=CS1)C(CCC(=O)O)=O |