![4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid](/api/spectrum/2KIo2uj8PKo/structure.png?h=300&w=458 "4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid")
| SpectraBase Compound ID | Ba7VHxHuUWw |
|---|---|
| InChI | InChI=1S/C15H13NO4/c17-15(18)11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)20-9-19-13/h1-7,16H,8-9H2,(H,17,18) |
| InChIKey | DXMXVBCFPHMKGZ-UHFFFAOYSA-N |
| Mol Weight | 271.27 g/mol |
| Molecular Formula | C15H13NO4 |
| Exact Mass | 271.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KIo2uj8PKo |
|---|---|
| Name | 4-[(1,3-Benzodioxol-5-ylmethyl)amino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.084457899 u |
| Formula | C15H13NO4 |
| InChI | InChI=1S/C15H13NO4/c17-15(18)11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)20-9-19-13/h1-7,16H,8-9H2,(H,17,18) |
| InChIKey | DXMXVBCFPHMKGZ-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(C=C1)C(=O)O)C1=CC2=C(C=C1)OCO2 |