| SpectraBase Spectrum ID |
28Oi68ThRui |
| Name |
(E)-but-2-Enyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.053886044 u |
| Formula |
C11H10N2O6 |
| InChI |
InChI=1S/C11H10N2O6/c1-2-3-4-19-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h2-3,5-7H,4H2,1H3/b3-2+ |
| InChIKey |
WFJDNVCWKBAFND-NSCUHMNNSA-N |
| Molecular Weight |
266.209 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9709 |
