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5-{4-(Trifluoromethyl)phenyl}-2-{(3,4,5-trifluorophenyl)ethynyl}oxazole
SpectraBase Compound ID FF0Fak7cAlF
InChI InChI=1S/C18H7F6NO/c19-13-7-10(8-14(20)17(13)21)1-6-16-25-9-15(26-16)11-2-4-12(5-3-11)18(22,23)24/h2-5,7-9H
InChIKey BDGBETWXWZGUMA-UHFFFAOYSA-N
Mol Weight 367.25 g/mol
Molecular Formula C18H7F6NO
Exact Mass 367.043183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRyo6fORrJR
Name 5-{4-(Trifluoromethyl)phenyl}-2-{(3,4,5-trifluorophenyl)ethynyl}oxazole
Alternate Name(s) 5-(4-(trifluoromethyl)phenyl)-2-((3,4,5-trifluorophenyl)ethynyl)oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H7F6NO
InChI InChI=1S/C18H7F6NO/c19-13-7-10(8-14(20)17(13)21)1-6-16-25-9-15(26-16)11-2-4-12(5-3-11)18(22,23)24/h2-5,7-9H
InChIKey BDGBETWXWZGUMA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300514d
Molecular Weight 367.250 g/mol
SMILES c1nc(oc1-c1ccc(C(F)(F)F)cc1)C#Cc1cc(c(c(c1)F)F)F
SPLASH splash10-02t9-0329000000-29981b1076214e47bd37
Source of Spectrum A1-14-1824/SMS15-5j
Wiley ID 1750183