| SpectraBase Spectrum ID |
1MZrt21UZKU |
| Name |
N-2,4-Dinitrophenyl-dl-glutamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.054614318 u |
| Formula |
C11H11N3O8 |
| InChI |
InChI=1S/C11H11N3O8/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18) |
| InChIKey |
NZBKHTRVUNPZEN-UHFFFAOYSA-N |
| Molecular Weight |
313.222 g/mol |
| SMILES |
C1=CC(=CC(=C1NC(C(=O)O)CCC(O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94178 |
