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4-[1-(4-Cyanophenyl)-5-(4-(dimethylamino)phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-N-methyl-benzamide
SpectraBase Compound ID G5DVzj5g9fD
InChI InChI=1S/C26H25N5O/c1-28-26(32)21-8-6-19(7-9-21)24-16-25(20-10-14-22(15-11-20)30(2)3)31(29-24)23-12-4-18(17-27)5-13-23/h4-15,25H,16H2,1-3H3,(H,28,32)
InChIKey BNYVXAAFKOIABG-UHFFFAOYSA-N
Mol Weight 423.52 g/mol
Molecular Formula C26H25N5O
Exact Mass 423.20591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MqebSOvhFp
Name 4-[1-(4-Cyanophenyl)-5-(4-(dimethylamino)phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-N-methyl-benzamide
Appearance Yellow crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N5O
InChI InChI=1S/C26H25N5O/c1-28-26(32)21-8-6-19(7-9-21)24-16-25(20-10-14-22(15-11-20)30(2)3)31(29-24)23-12-4-18(17-27)5-13-23/h4-15,25H,16H2,1-3H3,(H,28,32)
InChIKey BNYVXAAFKOIABG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202101892
Molecular Weight 423.520 g/mol
Quality 29
SMILES N(C(C1=CC=C(C2=NN(C3=CC=C(C#N)C=C3)C(C2)C2=CC=C(C=C2)N(C)C)C=C1)=O)C
SPLASH splash10-00di-0000900000-b87e7e54881e7900d6a5
Source of Spectrum QE-27-SM11-4a (DOI: 10.1002/chem.202101892)
Wiley ID 1904094