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5-Methyl-2-phenyl-4-[2-(t-butoxycarbonylazido)-1-(methoxycarbonyl)propyl]-2,3-dihydropyrazole-3-one
SpectraBase Compound ID 3faKY3qIWyy
InChI InChI=1S/C20H26N4O5/c1-12(21-22-19(27)29-20(3,4)5)16(18(26)28-6)15-13(2)23-24(17(15)25)14-10-8-7-9-11-14/h7-11,16,23H,1-6H3,(H,22,27)/b21-12+
InChIKey LCOVYKFOTSTEHN-CIAFOILYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C20H26N4O5
Exact Mass 402.19032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8teOliYZPxe
Name 5-Methyl-2-phenyl-4-[2-(t-butoxycarbonylazido)-1-(methoxycarbonyl)propyl]-2,3-dihydropyrazole-3-one
Alternate Name(s) 5-Methyl-2-phenyl-4-[2-(t-butoxycarbonylazido)-1-(methoxycarbonyl)propyl]pyrazole-3-one tert-Butyl (2E)-2-[3-methoxy-1-methyl-2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-oxopropylidene]hydrazinecarboxylate
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Formula C20H26N4O5
InChI InChI=1S/C20H26N4O5/c1-12(21-22-19(27)29-20(3,4)5)16(18(26)28-6)15-13(2)23-24(17(15)25)14-10-8-7-9-11-14/h7-11,16,23H,1-6H3,(H,22,27)/b21-12+
InChIKey LCOVYKFOTSTEHN-CIAFOILYSA-N
Molecular Weight 402.451 g/mol
SMILES N1N(C(C(C(\C(=N\NC(OC(C)(C)C)=O)C)C(=O)OC)=C1C)=O)c1ccccc1
SPLASH splash10-00dj-0097100000-f07de8dfc14b05f04fed
Source of Spectrum C4-2000-985-3
Wiley ID 1520003