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(2E,6E)-2,6-bis((1,3-diphenyl-1H-pyrazol-4-yl)methylene)cyclohexanone
SpectraBase Compound ID 8v6qIRTA7SR
InChI InChI=1S/C38H30N4O/c43-38-30(24-32-26-41(34-20-9-3-10-21-34)39-36(32)28-14-5-1-6-15-28)18-13-19-31(38)25-33-27-42(35-22-11-4-12-23-35)40-37(33)29-16-7-2-8-17-29/h1-12,14-17,20-27H,13,18-19H2/b30-24+,31-25+
InChIKey KIJRWRJJVRXGNY-AMLXCYGQSA-N
Mol Weight 558.7 g/mol
Molecular Formula C38H30N4O
Exact Mass 558.241962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JefgBZF8rW
Name (2E,6E)-2,6-bis((1,3-diphenyl-1H-pyrazol-4-yl)methylene)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30N4O
InChI InChI=1S/C38H30N4O/c43-38-30(24-32-26-41(34-20-9-3-10-21-34)39-36(32)28-14-5-1-6-15-28)18-13-19-31(38)25-33-27-42(35-22-11-4-12-23-35)40-37(33)29-16-7-2-8-17-29/h1-12,14-17,20-27H,13,18-19H2/b30-24+,31-25+
InChIKey KIJRWRJJVRXGNY-AMLXCYGQSA-N
Molecular Weight 558.685 g/mol
SMILES c1(n[n](-c2ccccc2)cc1\C=C\1C(\C(CCC1)=C\c1c[n](nc1-c1ccccc1)-c1ccccc1)=O)-c1ccccc1
SPLASH splash10-0059-9010080000-3a9eacde48d893f70087
Source of Spectrum Y1-43B-1358-12a
Wiley ID 1744288