SpectraBase Spectrum ID |
I6C742Eiifz |
Name |
4-[1',3'-Diallyloxy-2'-(allyloxymethyl)-4',4',4'-trifluorobutyl]benzene-methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
400.186143834 u |
Formula |
C21H27F3O4 |
InChI |
InChI=1S/C21H27F3O4/c1-4-11-26-15-18(20(21(22,23)24)28-13-6-3)19(27-12-5-2)17-9-7-16(14-25)8-10-17/h4-10,18-20,25H,1-3,11-15H2 |
InChIKey |
OWPHIAHHDUYAJD-UHFFFAOYSA-N |
Molecular Weight |
400.438 g/mol |
SMILES |
C(C(C(F)(F)F)OCC=C)(C(C1=CC=C(C=C1)CO)OCC=C)COCC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84699 |