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4,4'-Bis(1,5-diphenyl-.delta.2-pyrazolin-3-yl)diphenyl sulphide

View entire compound with spectra: 1 MS (GC)

4,4'-Bis(1,5-diphenyl-.delta.2-pyrazolin-3-yl)diphenyl sulphide
SpectraBase Compound ID CzlpxU2pxWu
InChI InChI=1S/C42H34N4S/c1-5-13-33(14-6-1)41-29-39(43-45(41)35-17-9-3-10-18-35)31-21-25-37(26-22-31)47-38-27-23-32(24-28-38)40-30-42(34-15-7-2-8-16-34)46(44-40)36-19-11-4-12-20-36/h1-28,41-42H,29-30H2
InChIKey APVDBMOIGRIEAG-UHFFFAOYSA-N
Mol Weight 626.8 g/mol
Molecular Formula C42H34N4S
Exact Mass 626.250418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ztiA5Skyqz
Name 4,4'-Bis(1,5-diphenyl-.delta.2-pyrazolin-3-yl)diphenyl sulphide
Alternate Name(s) 5-[4-[[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]thio]phenyl]-2,3-diphenyl-3,4-dihydropyrazole 5-[4-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]sulfanylphenyl]-2,3-diphenyl-3,4-dihydropyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H34N4S
InChI InChI=1S/C42H34N4S/c1-5-13-33(14-6-1)41-29-39(43-45(41)35-17-9-3-10-18-35)31-21-25-37(26-22-31)47-38-27-23-32(24-28-38)40-30-42(34-15-7-2-8-16-34)46(44-40)36-19-11-4-12-20-36/h1-28,41-42H,29-30H2
InChIKey APVDBMOIGRIEAG-UHFFFAOYSA-N
Molecular Weight 626.822 g/mol
SMILES C1(N(N=C(C1)c1ccc(Sc2ccc(C3=NN(c4ccccc4)C(C3)c3ccccc3)cc2)cc1)c1ccccc1)c1ccccc1
SPLASH splash10-0006-9000000000-6747e4c03d9d6c17ea24
Source of Spectrum Y1-32-1123-7
Wiley ID 1526134