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Spiro[7-Methyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4,4'-1'-phenyl-3'-methyl-4',5'-dihydro-5'-oxopyrazoline]
SpectraBase Compound ID BVHpx4jo2VU
InChI InChI=1S/C16H16N4O3/c1-9-16(12-11(8-17-16)13(21)19(2)14(12)22)15(23)20(18-9)10-6-4-3-5-7-10/h3-7,11-12,17H,8H2,1-2H3
InChIKey ZOTFUGBGRUMWHG-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C16H16N4O3
Exact Mass 312.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KhoEdir4XT
Name Spiro[7-Methyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-4,4'-1'-phenyl-3'-methyl-4',5'-dihydro-5'-oxopyrazoline]
Alternate Name(s) 3,5'-dimethyl-1-phenyl-3',3'a,4',5',6',6'a,1,5-octahydro-2'H-spiro[pyrazole-4,1'-pyrrolo[3,4-c]pyrrole]-4',5,6'-trione
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Formula C16H16N4O3
InChI InChI=1S/C16H16N4O3/c1-9-16(12-11(8-17-16)13(21)19(2)14(12)22)15(23)20(18-9)10-6-4-3-5-7-10/h3-7,11-12,17H,8H2,1-2H3
InChIKey ZOTFUGBGRUMWHG-UHFFFAOYSA-N
Molecular Weight 312.329 g/mol
SMILES N1CC2C(N(C(C2C11C(N(c2ccccc2)N=C1C)=O)=O)C)=O
SPLASH splash10-03fr-5097000000-59f708710e49e1e85e7c
Source of Spectrum F-50-902-30
Wiley ID 1313113