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Diisopropyl 1-((3-(4-Cyanophenyl)-4,4-dimethyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)methyl)hydrazine-1,2-dicarboxylate
SpectraBase Compound ID 4kYpvSPrV5S
InChI InChI=1S/C27H33N5O4/c1-18(2)35-25(33)30-31(26(34)36-19(3)4)17-23-27(5,6)24(21-14-12-20(16-28)13-15-21)29-32(23)22-10-8-7-9-11-22/h7-15,18-19,23H,17H2,1-6H3,(H,30,33)
InChIKey MWUKQTFJAUYWKL-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C27H33N5O4
Exact Mass 491.253255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AH5cttwKluv
Name Diisopropyl 1-((3-(4-Cyanophenyl)-4,4-dimethyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)methyl)hydrazine-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33N5O4
InChI InChI=1S/C27H33N5O4/c1-18(2)35-25(33)30-31(26(34)36-19(3)4)17-23-27(5,6)24(21-14-12-20(16-28)13-15-21)29-32(23)22-10-8-7-9-11-22/h7-15,18-19,23H,17H2,1-6H3,(H,30,33)
InChIKey MWUKQTFJAUYWKL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo4016908
Molecular Weight 491.592 g/mol
SMILES N(N(CC1N(N=C(C1(C)C)c1ccc(cc1)C#N)c1ccccc1)C(OC(C)C)=O)C(OC(C)C)=O
SPLASH splash10-00di-0090000000-e97828fb1ddbde30a5d5
Source of Spectrum J-78-10700-3c
Synonyms N-[[5-(4-cyanophenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methyl]-N-[[oxo(propan-2-yloxy)methyl]amino]carbamic acid propan-2-yl ester Isopropyl N-[[5-(4-cyanophenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methyl]-N-(isopropoxycarbonylamino)carbamate Propan-2-yl N-[[5-(4-cyanophenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methyl]-N-(propan-2-yloxycarbonylamino)carbamate
Wiley ID 1747236