![Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester](/api/spectrum/G9UkRmEx3mA/structure.png?h=300&w=458 "Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester")
| SpectraBase Compound ID | AHGqp6R7mLI |
|---|---|
| InChI | InChI=1S/C12H13NO5/c1-3-18-12(16)10(14)13-9-7-5-4-6-8(9)11(15)17-2/h4-7H,3H2,1-2H3,(H,13,14) |
| InChIKey | XYNVBHZKXLHYTK-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9UkRmEx3mA |
|---|---|
| Name | Benzoic acid, 2-[(ethoxyoxoacetyl)amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.079372518 u |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c1-3-18-12(16)10(14)13-9-7-5-4-6-8(9)11(15)17-2/h4-7H,3H2,1-2H3,(H,13,14) |
| InChIKey | XYNVBHZKXLHYTK-UHFFFAOYSA-N |
| Molecular Weight | 251.238 g/mol |
| SMILES | C1(NC(=O)C(=O)OCC)=C(C=CC=C1)C(=O)OC |