![Benzoic acid, 3,5-bis[(3-carboxy-1-oxopropyl)amino]-](/api/spectrum/3eqUl9HSAuD/structure.png?h=300&w=458 "Benzoic acid, 3,5-bis[(3-carboxy-1-oxopropyl)amino]-")
| SpectraBase Compound ID | HKuPqWHu7Hn |
|---|---|
| InChI | InChI=1S/C15H16N2O8/c18-11(1-3-13(20)21)16-9-5-8(15(24)25)6-10(7-9)17-12(19)2-4-14(22)23/h5-7H,1-4H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25) |
| InChIKey | WZAXTYUTZBIWNX-UHFFFAOYSA-N |
| Mol Weight | 352.3 g/mol |
| Molecular Formula | C15H16N2O8 |
| Exact Mass | 352.090665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eqUl9HSAuD |
|---|---|
| Name | Benzoic acid, 3,5-bis[(3-carboxy-1-oxopropyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.090665475 u |
| Formula | C15H16N2O8 |
| InChI | InChI=1S/C15H16N2O8/c18-11(1-3-13(20)21)16-9-5-8(15(24)25)6-10(7-9)17-12(19)2-4-14(22)23/h5-7H,1-4H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25) |
| InChIKey | WZAXTYUTZBIWNX-UHFFFAOYSA-N |
| Molecular Weight | 352.299 g/mol |
| SMILES | OC(C=1C=C(C=C(C1)NC(CCC(=O)O)=O)NC(CCC(=O)O)=O)=O |