| SpectraBase Spectrum ID |
5XDHiAKpLDk |
| Name |
2,2'-Dinitro-4,4'-dichlorodibenzyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.001762206 u |
| Formula |
C14H10Cl2N2O4 |
| InChI |
InChI=1S/C14H10Cl2N2O4/c15-11-5-3-9(13(7-11)17(19)20)1-2-10-4-6-12(16)8-14(10)18(21)22/h3-8H,1-2H2 |
| InChIKey |
WRXUIBYFAHOQHD-UHFFFAOYSA-N |
| Molecular Weight |
341.150 g/mol |
| SMILES |
C1(=CC(N(=O)=O)=C(C=C1)CCC1=CC=C(C=C1N(=O)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865441 |
