| SpectraBase Spectrum ID |
GoWxiSIFBTp |
| Name |
1-Benzoyl-2-(p-bromophenyl)-3,3-dicyanocyclopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.005475981 u |
| Formula |
C18H11BrN2O |
| InChI |
InChI=1S/C18H11BrN2O/c19-14-8-6-12(7-9-14)15-16(18(15,10-20)11-21)17(22)13-4-2-1-3-5-13/h1-9,15-16H |
| InChIKey |
JBMKNICESCIWEV-UHFFFAOYSA-N |
| Molecular Weight |
351.203 g/mol |
| SMILES |
C1(C(C1(C#N)C#N)C=1C=CC(=CC1)Br)C(C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908964 |
