![Benzoic acid, 2-[[(2-nitrophenyl)methyl]amino]-, methyl ester](/api/spectrum/Br06JNEp45A/structure.png?h=300&w=458 "Benzoic acid, 2-[[(2-nitrophenyl)methyl]amino]-, methyl ester")
| SpectraBase Compound ID | Aw6k3Jcgcv8 |
|---|---|
| InChI | InChI=1S/C15H14N2O4/c1-21-15(18)12-7-3-4-8-13(12)16-10-11-6-2-5-9-14(11)17(19)20/h2-9,16H,10H2,1H3 |
| InChIKey | SBVICLRLKKRGDD-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C15H14N2O4 |
| Exact Mass | 286.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Br06JNEp45A |
|---|---|
| Name | Benzoic acid, 2-[[(2-nitrophenyl)methyl]amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.095356935 u |
| Formula | C15H14N2O4 |
| InChI | InChI=1S/C15H14N2O4/c1-21-15(18)12-7-3-4-8-13(12)16-10-11-6-2-5-9-14(11)17(19)20/h2-9,16H,10H2,1H3 |
| InChIKey | SBVICLRLKKRGDD-UHFFFAOYSA-N |
| Molecular Weight | 286.287 g/mol |
| SMILES | C=1(N(=O)=O)C(CNC=2C(C(=O)OC)=CC=CC2)=CC=CC1 |