| SpectraBase Spectrum ID |
BaWezlS5YFX |
| Name |
(E)-hex-3-Enyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.085186173 u |
| Formula |
C13H14N2O6 |
| InChI |
InChI=1S/C13H14N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h3-4,7-9H,2,5-6H2,1H3/b4-3+ |
| InChIKey |
QVOVOBIUXJFNNO-ONEGZZNKSA-N |
| Molecular Weight |
294.263 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855058 |
