| SpectraBase Spectrum ID |
19hijp0haah |
| Name |
(Z) and (E)-.alpha.,.beta.-Dibromo-4,4'-dinitrostibene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.885082742 u |
| Formula |
C14H8Br2N2O4 |
| InChI |
InChI=1S/C14H8Br2N2O4/c15-13(9-1-5-11(6-2-9)17(19)20)14(16)10-3-7-12(8-4-10)18(21)22/h1-8H/b14-13+ |
| InChIKey |
ZPBUQCLSVVZITJ-BUHFOSPRSA-N |
| Molecular Weight |
428.036 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(\C(=C\(C2=CC=C(N(=O)=O)C=C2)Br)Br)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962846 |
