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5-(4-tert-Butylphenyl)-3-hydroxy-1-phenyl-3-(trifluoromethyl)pent-4-yn-1-one

View entire compound with spectra: 1 MS (GC)

5-(4-tert-Butylphenyl)-3-hydroxy-1-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
SpectraBase Compound ID 9uSyTji1uWo
InChI InChI=1S/C22H21F3O2/c1-20(2,3)18-11-9-16(10-12-18)13-14-21(27,22(23,24)25)15-19(26)17-7-5-4-6-8-17/h4-12,27H,15H2,1-3H3
InChIKey LCYDLEOIYMOBKT-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H21F3O2
Exact Mass 374.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvVtkH3Uz5I
Name 5-(4-tert-Butylphenyl)-3-hydroxy-1-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
Alternate Name(s) 5-(4-(tert-butyl)phenyl)-3-hydroxy-1-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F3O2
InChI InChI=1S/C22H21F3O2/c1-20(2,3)18-11-9-16(10-12-18)13-14-21(27,22(23,24)25)15-19(26)17-7-5-4-6-8-17/h4-12,27H,15H2,1-3H3
InChIKey LCYDLEOIYMOBKT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200687
Molecular Weight 374.403 g/mol
SMILES OC(C(F)(F)F)(CC(c1ccccc1)=O)C#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-052u-3779000000-99623d9d9e811bdd7f1c
Source of Spectrum ASC-355-582-3b
Wiley ID 1761863