| SpectraBase Spectrum ID |
Cd2jMOkQEyE |
| Name |
Benzenepropanoic-beta-D acid, 2,4-dinitro-; hydrocinnamic acid, 2,4-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.038235980 u |
| Formula |
C9H8N2O6 |
| InChI |
InChI=1S/C9H8N2O6/c12-9(13)4-2-6-1-3-7(10(14)15)5-8(6)11(16)17/h1,3,5H,2,4H2,(H,12,13) |
| InChIKey |
NJGXPGVYYHJEBT-UHFFFAOYSA-N |
| Molecular Weight |
240.171 g/mol |
| SMILES |
OC(CCC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.981407 |
