| SpectraBase Spectrum ID |
18J80GHF7al |
| Name |
2,4-Dinitrophenyl crotonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.038235980 u |
| Formula |
C10H8N2O6 |
| InChI |
InChI=1S/C10H8N2O6/c1-2-3-10(13)18-9-5-4-7(11(14)15)6-8(9)12(16)17/h2-6H,1H3/b3-2+ |
| InChIKey |
GUSNPPQRVLDVCY-NSCUHMNNSA-N |
| Molecular Weight |
252.182 g/mol |
| SMILES |
C(\C=C\C)(=O)OC1=CC=C(C=C1N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987293 |
