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Phenyl-((3S,4R)-2-phenyl-4-thiophen-2-yl-5-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-yl)-methanone
SpectraBase Compound ID 4QJgjuFHCUF
InChI InChI=1S/C21H15F3N2OS/c22-21(23,24)20-17(16-12-7-13-28-16)18(19(27)14-8-3-1-4-9-14)26(25-20)15-10-5-2-6-11-15/h1-13,17-18H/t17-,18?/m1/s1
InChIKey GQLIMIQRGTVBRD-QNSVNVJESA-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 7KLkUgic4e7
Name Phenyl-((3S,4R)-2-phenyl-4-thiophen-2-yl-5-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-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(16-12-7-13-28-16)18(19(27)14-8-3-1-4-9-14)26(25-20)15-10-5-2-6-11-15/h1-13,17-18H/t17-,18?/m1/s1
InChIKey GQLIMIQRGTVBRD-QNSVNVJESA-N
Molecular Weight 400.419 g/mol
SMILES C1(=NN(c2ccccc2)C([C@]1(c1sccc1)[H])C(=O)c1ccccc1)C(F)(F)F
SPLASH splash10-004j-5190000000-df3cd9b86c39d0ad0266
Source of Spectrum F4-43-2773-4q
Synonyms Phenyl[1-phenyl-4-(thiophen-2-yl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-yl]methanone
Wiley ID 1676284