| SpectraBase Spectrum ID |
1mwj9H3QnXe |
| Name |
1-(1-Iodo-2-nitrovinyl)-4-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.929401645 u |
| Formula |
C8H5IN2O4 |
| InChI |
InChI=1S/C8H5IN2O4/c9-8(5-10(12)13)6-1-3-7(4-2-6)11(14)15/h1-5H/b8-5- |
| InChIKey |
SYCOBPINGDFZAZ-YVMONPNESA-N |
| Molecular Weight |
320.042 g/mol |
| SMILES |
C=1(\C(=C\N(=O)=O)I)C=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961787 |
