| SpectraBase Spectrum ID |
BGkZFZRo5oY |
| Name |
Methyl N-(3-nitrobenzoyl)glycinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.058971425 u |
| Formula |
C10H10N2O5 |
| InChI |
InChI=1S/C10H10N2O5/c1-17-9(13)6-11-10(14)7-3-2-4-8(5-7)12(15)16/h2-5H,6H2,1H3,(H,11,14) |
| InChIKey |
SRHCLZBLAYUMEW-UHFFFAOYSA-N |
| Molecular Weight |
238.199 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C(NCC(=O)OC)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906732 |
