| SpectraBase Spectrum ID |
HTyyjW1XHa8 |
| Name |
(E)-4-(3,3,3-Trifluoroprop-1-en-1-yl)-1,1'-biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.081284843 u |
| Formula |
C15H11F3 |
| InChI |
InChI=1S/C15H11F3/c16-15(17,18)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11H/b11-10+ |
| InChIKey |
QMAUSXCQUXQUCT-ZHACJKMWSA-N |
| Molecular Weight |
248.248 g/mol |
| SMILES |
C(F)(\C=C\C1=CC=C(C2=CC=CC=C2)C=C1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927907 |
