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N-benzylidine-4-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)benzohydrazide
SpectraBase Compound ID 8qkcRXVJm8J
InChI InChI=1S/C40H29N5O2/c46-39(42-41-27-29-13-5-1-6-14-29)32-21-23-36(24-22-32)45-37(30-15-7-2-8-16-30)26-33(40(45)47)25-34-28-44(35-19-11-4-12-20-35)43-38(34)31-17-9-3-10-18-31/h1-28H,(H,42,46)
InChIKey KDGPOCAHAIKQPW-UHFFFAOYSA-N
Mol Weight 611.7 g/mol
Molecular Formula C40H29N5O2
Exact Mass 611.232125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eqgxsma7YkG
Name N-benzylidine-4-(3-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-oxo-5-phenyl-2,3-dihydropyrrol-1-yl)benzohydrazide
Appearance Golden yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H29N5O2
InChI InChI=1S/C40H29N5O2/c46-39(42-41-27-29-13-5-1-6-14-29)32-21-23-36(24-22-32)45-37(30-15-7-2-8-16-30)26-33(40(45)47)25-34-28-44(35-19-11-4-12-20-35)43-38(34)31-17-9-3-10-18-31/h1-28H,(H,42,46)
InChIKey KDGPOCAHAIKQPW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2456
Molecular Weight 611.705 g/mol
SMILES N(C(c1ccc(N2C(=CC(C2=O)=Cc2c[n](nc2-c2ccccc2)-c2ccccc2)c2ccccc2)cc1)=O)N=Cc1ccccc1
SPLASH splash10-0a4i-8900132000-799924d5c6ac9326a30c
Source of Spectrum Y-53-1517-9a
Wiley ID 1876629