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4-[1',3'-Diallyloxy-2'-(allyloxymethyl)-4',4',4'-trifluorobutyl]benzene-methanol
SpectraBase Compound ID 1IYpwtWT1PV
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
Mol Weight 400.44 g/mol
Molecular Formula C21H27F3O4
Exact Mass 400.186144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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