SpectraBase Spectrum ID |
EorMuyaPzey |
Name |
(Z)-2-[2-Ethyl-3-[4-(trifluoromethyl)phenyl]}-2-propen-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.091849527 u |
Formula |
C12H13F3O |
InChI |
InChI=1S/C12H13F3O/c1-2-9(8-16)7-10-3-5-11(6-4-10)12(13,14)15/h3-7,16H,2,8H2,1H3/b9-7- |
InChIKey |
PGDVVUGAXLEZSD-CLFYSBASSA-N |
Molecular Weight |
230.230 g/mol |
SMILES |
C(C1=CC=C(\C=C/(CO)CC)C=C1)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909846 |