| SpectraBase Spectrum ID |
1QQC92veXdR |
| Name |
Benzene, 1,1'-(1-nitro-1,2-ethenediyl)bis[4-nitro-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.049135016 u |
| Formula |
C14H9N3O6 |
| InChI |
InChI=1S/C14H9N3O6/c18-15(19)12-5-1-10(2-6-12)9-14(17(22)23)11-3-7-13(8-4-11)16(20)21/h1-9H/b14-9+ |
| InChIKey |
SYFWDVSUJCGHSS-NTEUORMPSA-N |
| Molecular Weight |
315.241 g/mol |
| SMILES |
C1(\C=C/(N(=O)=O)C=2C=CC(N(=O)=O)=CC2)=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971978 |
