For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(Bromomethyl)-4-[(1S,2R,3S)-1,3-diallyloxy-2-(allyloxymethyl)-4,4,4,-trifluorobutyl]benzene
SpectraBase Compound ID JU5TIuB5KaH
InChI InChI=1S/C21H26BrF3O3/c1-4-11-26-15-18(20(21(23,24)25)28-13-6-3)19(27-12-5-2)17-9-7-16(14-22)8-10-17/h4-10,18-20H,1-3,11-15H2/t18-,19-,20+/m1/s1
InChIKey MIXHIKUAHLTLKK-AQNXPRMDSA-N
Mol Weight 463.34 g/mol
Molecular Formula C21H26BrF3O3
Exact Mass 462.101742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CIqATgaVyww
Name 1-(Bromomethyl)-4-[(1S,2R,3S)-1,3-diallyloxy-2-(allyloxymethyl)-4,4,4,-trifluorobutyl]benzene
Alternate Name(s) 1-((1S,2R,3S)-1,3-bis(allyloxy)-2-((allyloxy)methyl)-4,4,4-trifluorobutyl)-4-(bromomethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26BrF3O3
InChI InChI=1S/C21H26BrF3O3/c1-4-11-26-15-18(20(21(23,24)25)28-13-6-3)19(27-12-5-2)17-9-7-16(14-22)8-10-17/h4-10,18-20H,1-3,11-15H2/t18-,19-,20+/m1/s1
InChIKey MIXHIKUAHLTLKK-AQNXPRMDSA-N
Molecular Weight 463.335 g/mol
SMILES c1([C@@](OCC=C)([C@@](COCC=C)([C@@](C(F)(F)F)(OCC=C)[H])[H])[H])ccc(CBr)cc1
SPLASH splash10-0a4i-0061900000-2c2bae97845fe550713b
Source of Spectrum H-81-1016-15
Wiley ID 1785322