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Diisopropyl 1-((1-(4-Cyanophenyl)-4,4-dimethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)methyl)hydrazine-1,2-dicarboxylate
SpectraBase Compound ID KJyPYpscuAJ
InChI InChI=1S/C27H33N5O4/c1-18(2)35-25(33)30-31(26(34)36-19(3)4)17-23-27(5,6)24(21-10-8-7-9-11-21)29-32(23)22-14-12-20(16-28)13-15-22/h7-15,18-19,23H,17H2,1-6H3,(H,30,33)
InChIKey FSJMNDAKODXUFK-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 BHa3C0zkrdT
Name Diisopropyl 1-((1-(4-Cyanophenyl)-4,4-dimethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)methyl)hydrazine-1,2-dicarboxylate
Alternate Name(s) N-[[2-(4-cyanophenyl)-4,4-dimethyl-5-phenyl-3H-pyrazol-3-yl]methyl]-N-[[oxo(propan-2-yloxy)methyl]amino]carbamic acid propan-2-yl ester Isopropyl N-[[2-(4-cyanophenyl)-4,4-dimethyl-5-phenyl-3H-pyrazol-3-yl]methyl]-N-(isopropoxycarbonylamino)carbamate Propan-2-yl N-[[2-(4-cyanophenyl)-4,4-dimethyl-5-phenyl-3H-pyrazol-3-yl]methyl]-N-(propan-2-yloxycarbonylamino)carbamate
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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(21-10-8-7-9-11-21)29-32(23)22-14-12-20(16-28)13-15-22/h7-15,18-19,23H,17H2,1-6H3,(H,30,33)
InChIKey FSJMNDAKODXUFK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo4016908
Molecular Weight 491.592 g/mol
SMILES N(N(CC1N(N=C(C1(C)C)c1ccccc1)c1ccc(cc1)C#N)C(OC(C)C)=O)C(OC(C)C)=O
SPLASH splash10-00di-3190100000-54d165c28f067b35bf13
Source of Spectrum J-78-10701-3j
Wiley ID 1747238