| SpectraBase Spectrum ID |
B3J2eMN9R9f |
| Name |
4-Nitrobenzyl hydrogen malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.042987008 u |
| Formula |
C10H9NO6 |
| InChI |
InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13) |
| InChIKey |
RIGFMUNSTCPGNP-UHFFFAOYSA-N |
| Molecular Weight |
239.183 g/mol |
| SMILES |
C1=C(C=CC(=C1)COC(CC(=O)O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942494 |
