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4-(3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)-N-(4-oxo-2-phenyl thiazolidin-3-yl)benzamide
SpectraBase Compound ID CUzrirYHUsa
InChI InChI=1S/C42H31N5O3S/c48-38-28-51-42(32-17-9-3-10-18-32)47(38)44-40(49)31-21-23-36(24-22-31)46-37(29-13-5-1-6-14-29)26-33(41(46)50)25-34-27-45(35-19-11-4-12-20-35)43-39(34)30-15-7-2-8-16-30/h1-27,42H,28H2,(H,44,49)
InChIKey FXERTZQHYUOVCS-UHFFFAOYSA-N
Mol Weight 685.8 g/mol
Molecular Formula C42H31N5O3S
Exact Mass 685.214761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iWoYS5pUO
Name 4-(3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)-N-(4-oxo-2-phenyl thiazolidin-3-yl)benzamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H31N5O3S
InChI InChI=1S/C42H31N5O3S/c48-38-28-51-42(32-17-9-3-10-18-32)47(38)44-40(49)31-21-23-36(24-22-31)46-37(29-13-5-1-6-14-29)26-33(41(46)50)25-34-27-45(35-19-11-4-12-20-35)43-39(34)30-15-7-2-8-16-30/h1-27,42H,28H2,(H,44,49)
InChIKey FXERTZQHYUOVCS-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2456
Molecular Weight 685.802 g/mol
SMILES N(C(c1ccc(N2C(C(=Cc3c(n[n](-c4ccccc4)c3)-c3ccccc3)C=C2c2ccccc2)=O)cc1)=O)N1C(SCC1=O)c1ccccc1
SPLASH splash10-0a6r-9800110000-30c416834a8aa806afbb
Source of Spectrum Y-53-1517-10
Wiley ID 1876617