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5-{4-(Trifluoromethyl)phenyl}-2-{pyren-1-ylethynyl}oxazole
SpectraBase Compound ID 6lOKALLvs9K
InChI InChI=1S/C28H14F3NO/c29-28(30,31)22-12-8-18(9-13-22)24-16-32-25(33-24)15-11-17-4-5-21-7-6-19-2-1-3-20-10-14-23(17)27(21)26(19)20/h1-10,12-14,16H
InChIKey DFQALDWEDIKPNU-UHFFFAOYSA-N
Mol Weight 437.42 g/mol
Molecular Formula C28H14F3NO
Exact Mass 437.102749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SFthGVwPo9
Name 5-{4-(Trifluoromethyl)phenyl}-2-{pyren-1-ylethynyl}oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H14F3NO
InChI InChI=1S/C28H14F3NO/c29-28(30,31)22-12-8-18(9-13-22)24-16-32-25(33-24)15-11-17-4-5-21-7-6-19-2-1-3-20-10-14-23(17)27(21)26(19)20/h1-10,12-14,16H
InChIKey DFQALDWEDIKPNU-UHFFFAOYSA-N
Molecular Weight 437.421 g/mol
SMILES c1nc(oc1-c1ccc(C(F)(F)F)cc1)C#Cc1ccc2c3c1ccc1c3c(ccc1)cc2
SPLASH splash10-000i-0112900000-a35f152425291168262d
Source of Spectrum A1-14-1824/SMS11-5d
Synonyms 2-(pyren-1-ylethynyl)-5-(4-(trifluoromethyl)phenyl)oxazole
Wiley ID 1750178