| SpectraBase Spectrum ID |
7GKYUzXxuKI |
| Name |
1,3-Dinitro-5-(prop-2-en-1-yloxy)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.043321361 u |
| Formula |
C9H8N2O5 |
| InChI |
InChI=1S/C9H8N2O5/c1-2-3-16-9-5-7(10(12)13)4-8(6-9)11(14)15/h2,4-6H,1,3H2 |
| InChIKey |
LIVNCQCQYBQNMH-UHFFFAOYSA-N |
| Molecular Weight |
224.172 g/mol |
| SMILES |
C1=C(C=C(C=C1OCC=C)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975912 |
