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((3S,4R)-2,4-Diphenyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-yl)-thiophen-2-yl-methanone
SpectraBase Compound ID 4McAxJhNRWt
InChI InChI=1S/C21H15F3N2OS/c22-21(23,24)20-17(14-8-3-1-4-9-14)18(19(27)16-12-7-13-28-16)26(25-20)15-10-5-2-6-11-15/h1-13,17-18H/t17-,18+/m1/s1
InChIKey BONUHLSWXVNISS-MSOLQXFVSA-N
Mol Weight 400.42 g/mol
Molecular Formula C21H15F3N2OS
Exact Mass 400.085719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38HZDkr1cDL
Name ((3S,4R)-2,4-Diphenyl-5-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-yl)-thiophen-2-yl-methanone
Alternate Name(s) [1,4-Diphenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-yl](thiophen-2-yl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F3N2OS
InChI InChI=1S/C21H15F3N2OS/c22-21(23,24)20-17(14-8-3-1-4-9-14)18(19(27)16-12-7-13-28-16)26(25-20)15-10-5-2-6-11-15/h1-13,17-18H/t17-,18+/m1/s1
InChIKey BONUHLSWXVNISS-MSOLQXFVSA-N
Molecular Weight 400.419 g/mol
SMILES C1(=NN(c2ccccc2)[C@@]([C@]1(c1ccccc1)[H])(C(c1sccc1)=O)[H])C(F)(F)F
SPLASH splash10-000i-2090000000-91ce08826751e8bb3110
Source of Spectrum F4-43-2772-4i
Wiley ID 1676137