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(3S)-3-([1,1'-biphenyl]-4-yl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 5lPOHAg1XnT
InChI InChI=1S/C29H26N2O2/c1-32-28-18-17-24(19-29(28)33-2)27-20-26(30-31(27)25-11-7-4-8-12-25)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h3-19,27H,20H2,1-2H3/t27-/m0/s1
InChIKey NQZXREUHGYBSJY-MHZLTWQESA-N
Mol Weight 434.54 g/mol
Molecular Formula C29H26N2O2
Exact Mass 434.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQkgvZndwNi
Name (3S)-3-([1,1'-biphenyl]-4-yl)-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N2O2
InChI InChI=1S/C29H26N2O2/c1-32-28-18-17-24(19-29(28)33-2)27-20-26(30-31(27)25-11-7-4-8-12-25)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h3-19,27H,20H2,1-2H3/t27-/m0/s1
InChIKey NQZXREUHGYBSJY-MHZLTWQESA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4017
Molecular Weight 434.539 g/mol
SMILES c1(ccc(cc1)C1=NN([C@@](C1)(c1cc(c(cc1)OC)OC)[H])c1ccccc1)-c1ccccc1
SPLASH splash10-001i-0000900000-fb46c7b6624e0e7cedeb
Source of Spectrum Y-57-SM44-18
Wiley ID 1860297