| SpectraBase Spectrum ID |
7Xy75CedOGY |
| Name |
(E) .alpha.,.beta.,Dibromo-3,3'-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(9-3-1-5-11(7-9)17(19)20)14(16)10-4-2-6-12(8-10)18(21)22/h1-8H/b14-13+ |
| InChIKey |
MXYBGFBRDBXVBO-BUHFOSPRSA-N |
| Molecular Weight |
428.036 g/mol |
| SMILES |
C1(N(=O)=O)=CC(\C(=C\(C=2C=C(N(=O)=O)C=CC2)Br)Br)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960292 |
