| SpectraBase Spectrum ID |
BnlZSIWXTrr |
| Name |
(2,2-Difluoro-3-phenylcyclopropyl)(4-(trifluoromethyl)phenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.073005788 u |
| Formula |
C17H11F5O |
| InChI |
InChI=1S/C17H11F5O/c18-16(19)13(10-4-2-1-3-5-10)14(16)15(23)11-6-8-12(9-7-11)17(20,21)22/h1-9,13-14H |
| InChIKey |
KYGRRIHECOKXFM-UHFFFAOYSA-N |
| Molecular Weight |
326.266 g/mol |
| SMILES |
C1(C2=CC=CC=C2)C(F)(C1C(C1=CC=C(C=C1)C(F)(F)F)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938304 |
