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(3R,4S)-(4-(4-(Dimethylamino)phenyl)-1-phenyl-3-styryl-4,5-dihydro-1H-pyrazol-5-yl)(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanone

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(3R,4S)-(4-(4-(Dimethylamino)phenyl)-1-phenyl-3-styryl-4,5-dihydro-1H-pyrazol-5-yl)(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanone
SpectraBase Compound ID 3siH8YBlshG
InChI InChI=1S/C36H33N5O/c1-26-32(25-37-40(26)30-15-9-5-10-16-30)36(42)35-34(28-20-22-29(23-21-28)39(2)3)33(24-19-27-13-7-4-8-14-27)38-41(35)31-17-11-6-12-18-31/h4-25,34-35H,1-3H3/t34-,35-/m1/s1
InChIKey JEKPIXPOACZXJY-VSJLXWSYSA-N
Mol Weight 551.7 g/mol
Molecular Formula C36H33N5O
Exact Mass 551.268511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mq6MW0ISm
Name (3R,4S)-(4-(4-(Dimethylamino)phenyl)-1-phenyl-3-styryl-4,5-dihydro-1H-pyrazol-5-yl)(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H33N5O
InChI InChI=1S/C36H33N5O/c1-26-32(25-37-40(26)30-15-9-5-10-16-30)36(42)35-34(28-20-22-29(23-21-28)39(2)3)33(24-19-27-13-7-4-8-14-27)38-41(35)31-17-11-6-12-18-31/h4-25,34-35H,1-3H3/t34-,35-/m1/s1
InChIKey JEKPIXPOACZXJY-VSJLXWSYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2455
Molecular Weight 551.694 g/mol
SMILES c1(C(=O)[C@@]2(N(N=C([C@]2(c2ccc(cc2)N(C)C)[H])C=Cc2ccccc2)c2ccccc2)[H])c([n](nc1)-c1ccccc1)C
SPLASH splash10-0uk9-9036350000-fe94dd7582e704e91aa7
Source of Spectrum Y-53-1506-4e
Wiley ID 1876610