| SpectraBase Spectrum ID |
1BuukGM3bZ2 |
| Name |
1-Bromo-2-[cyclopropylidene(phenyl)methyl]-4-(trifluoromethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.007447875 u |
| Formula |
C17H12BrF3 |
| InChI |
InChI=1S/C17H12BrF3/c18-15-9-8-13(17(19,20)21)10-14(15)16(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2 |
| InChIKey |
HNCDXGDUKFIVCJ-UHFFFAOYSA-N |
| Molecular Weight |
353.182 g/mol |
| SMILES |
C1=C(C(=CC(=C1)C(F)(F)F)C(=C1CC1)C1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835976 |
