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(3R,4S)-(3,4-Bis(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanone
SpectraBase Compound ID 4harpnq3CEy
InChI InChI=1S/C32H24Cl2N4O/c1-21-28(20-35-37(21)26-8-4-2-5-9-26)32(39)31-29(22-12-16-24(33)17-13-22)30(23-14-18-25(34)19-15-23)36-38(31)27-10-6-3-7-11-27/h2-20,29,31H,1H3/t29-,31-/m1/s1
InChIKey QNQSVYKGOZNYFZ-BVRKHOPBSA-N
Mol Weight 551.5 g/mol
Molecular Formula C32H24Cl2N4O
Exact Mass 550.132717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzsanBgOvQq
Name (3R,4S)-(3,4-Bis(4-chlorophenyl)-1-phenyl-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 C32H24Cl2N4O
InChI InChI=1S/C32H24Cl2N4O/c1-21-28(20-35-37(21)26-8-4-2-5-9-26)32(39)31-29(22-12-16-24(33)17-13-22)30(23-14-18-25(34)19-15-23)36-38(31)27-10-6-3-7-11-27/h2-20,29,31H,1H3/t29-,31-/m1/s1
InChIKey QNQSVYKGOZNYFZ-BVRKHOPBSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2455
Molecular Weight 551.477 g/mol
SMILES c1(C(=O)[C@@]2(N(N=C([C@]2(c2ccc(cc2)Cl)[H])c2ccc(cc2)Cl)c2ccccc2)[H])c([n](nc1)-c1ccccc1)C
SPLASH splash10-0gdr-9806060000-1b6acb3f59b3af61bfcd
Source of Spectrum Y-53-1506-4d
Wiley ID 1876609