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1-Bromo-4-{[4-(n-pentyloxy)phenyl]ethynyl}-2-(trifluoromethyl)benzene
SpectraBase Compound ID 5STvUT31igI
InChI InChI=1S/C20H18BrF3O/c1-2-3-4-13-25-17-10-7-15(8-11-17)5-6-16-9-12-19(21)18(14-16)20(22,23)24/h7-12,14H,2-4,13H2,1H3
InChIKey WFOQPJJZDWCTAF-UHFFFAOYSA-N
Mol Weight 411.26 g/mol
Molecular Formula C20H18BrF3O
Exact Mass 410.049313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6jpBYGkPLu
Name 1-Bromo-4-{[4-(n-pentyloxy)phenyl]ethynyl}-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrF3O
InChI InChI=1S/C20H18BrF3O/c1-2-3-4-13-25-17-10-7-15(8-11-17)5-6-16-9-12-19(21)18(14-16)20(22,23)24/h7-12,14H,2-4,13H2,1H3
InChIKey WFOQPJJZDWCTAF-UHFFFAOYSA-N
Molecular Weight 411.262 g/mol
SMILES c1(C(F)(F)F)c(ccc(C#Cc2ccc(cc2)OCCCCC)c1)Br
SPLASH splash10-0006-0009300000-f2f1ff37ff016d08ff4f
Source of Spectrum U1-2013-8127-3h
Synonyms 1-Bromo-4-((4-(pentyloxy)phenyl)ethynyl)-2-(trifluoromethyl)benzene
Wiley ID 1740426