![2-[(2-Aminobenzoyl)amino]butanoic acid](/api/spectrum/H3bgqwDrc5O/structure.png?h=300&w=458 "2-[(2-Aminobenzoyl)amino]butanoic acid")
| SpectraBase Compound ID | 2nYPUYikVas |
|---|---|
| InChI | InChI=1S/C11H14N2O3/c1-2-9(11(15)16)13-10(14)7-5-3-4-6-8(7)12/h3-6,9H,2,12H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | XFLRPNPGSCPVFY-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C11H14N2O3 |
| Exact Mass | 222.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H3bgqwDrc5O |
|---|---|
| Name | 2-[(2-Aminobenzoyl)amino]butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.100442316 u |
| Formula | C11H14N2O3 |
| InChI | InChI=1S/C11H14N2O3/c1-2-9(11(15)16)13-10(14)7-5-3-4-6-8(7)12/h3-6,9H,2,12H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | XFLRPNPGSCPVFY-UHFFFAOYSA-N |
| Molecular Weight | 222.244 g/mol |
| SMILES | C(NC(CC)C(O)=O)(=O)C1=CC=CC=C1N |