| SpectraBase Compound ID | 9LF2UkkP2a |
|---|---|
| InChI | InChI=1S/C11H13NO4/c1-15-10(13)7-12-9-6-4-3-5-8(9)11(14)16-2/h3-6,12H,7H2,1-2H3 |
| InChIKey | NUIUXLUVFCMOIQ-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vce1OnsFuU |
|---|---|
| Name | Benzoic acid, 2-(methoxycarbonylmethylamino)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.084457899 u |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c1-15-10(13)7-12-9-6-4-3-5-8(9)11(14)16-2/h3-6,12H,7H2,1-2H3 |
| InChIKey | NUIUXLUVFCMOIQ-UHFFFAOYSA-N |
| Molecular Weight | 223.228 g/mol |
| SMILES | C1(C(=O)OC)=C(NCC(=O)OC)C=CC=C1 |