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3-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbonyl)-5-(furan-2-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID HBofn2ViHqy
InChI InChI=1S/C26H17N5O3/c1-17-20(15-18-9-4-2-5-10-18)25(32)31(28-17)26(33)23-21(16-27)24(22-13-8-14-34-22)30(29-23)19-11-6-3-7-12-19/h2-15H,1H3
InChIKey RNLJWRHGZDADKT-UHFFFAOYSA-N
Mol Weight 447.45 g/mol
Molecular Formula C26H17N5O3
Exact Mass 447.133139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hKhqL8QePe
Name 3-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbonyl)-5-(furan-2-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N5O3
InChI InChI=1S/C26H17N5O3/c1-17-20(15-18-9-4-2-5-10-18)25(32)31(28-17)26(33)23-21(16-27)24(22-13-8-14-34-22)30(29-23)19-11-6-3-7-12-19/h2-15H,1H3
InChIKey RNLJWRHGZDADKT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600116
Molecular Weight 447.454 g/mol
SMILES c1(n[n](c(c1C#N)-c1occc1)-c1ccccc1)C(=O)N1N=C(C(C1=O)=Cc1ccccc1)C
SPLASH splash10-01t9-9480500000-75a914b8667f22b3575b
Source of Spectrum QA-53-878-10a
Wiley ID 1796203