| SpectraBase Spectrum ID |
B2lcH6IziOV |
| Name |
p-Nitrobenzoyl-dl-aspartic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.048800663 u |
| Formula |
C11H10N2O7 |
| InChI |
InChI=1S/C11H10N2O7/c14-9(15)5-8(11(17)18)12-10(16)6-1-3-7(4-2-6)13(19)20/h1-4,8H,5H2,(H,12,16)(H,14,15)(H,17,18) |
| InChIKey |
PCEHLNJRRZDEKI-UHFFFAOYSA-N |
| SMILES |
C(NC(CC(=O)O)C(O)=O)(=O)C1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959203 |
