| SpectraBase Spectrum ID |
VaLFqEMbT5 |
| Name |
1-((1S,3S)-2,2-Dibromo-3-phenylcyclopropyl)-3-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.915654596 u |
| Formula |
C15H11Br2NO2 |
| InChI |
InChI=1S/C15H11Br2NO2/c16-15(17)13(10-5-2-1-3-6-10)14(15)11-7-4-8-12(9-11)18(19)20/h1-9,13-14H/t13-,14-/m1/s1 |
| InChIKey |
AEGDZGGCLHCLJX-ZIAGYGMSSA-N |
| Molecular Weight |
397.066 g/mol |
| SMILES |
C1([C@](C2=CC(N(=O)=O)=CC=C2)([C@]1(C=1C=CC=CC1)[H])[H])(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952869 |
