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methyl 6-methyl-11,13-dioxo-12-phenyl-12-aza-tricyclo[8.3.0.0(3,8)]tridec-3(8),4,6-trien-5-carboxylate
SpectraBase Compound ID CKw5NrbXV9m
InChI InChI=1S/C21H19NO4/c1-12-8-13-10-17-18(11-14(13)9-16(12)21(25)26-2)20(24)22(19(17)23)15-6-4-3-5-7-15/h3-9,17-18H,10-11H2,1-2H3
InChIKey ZBABXBLLCZKODC-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16iqMt01fpz
Name methyl 6-methyl-11,13-dioxo-12-phenyl-12-aza-tricyclo[8.3.0.0(3,8)]tridec-3(8),4,6-trien-5-carboxylate
CAS Registry Number 108200-91-5
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-12-8-13-10-17-18(11-14(13)9-16(12)21(25)26-2)20(24)22(19(17)23)15-6-4-3-5-7-15/h3-9,17-18H,10-11H2,1-2H3
InChIKey ZBABXBLLCZKODC-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES C1(N(C(C2Cc3cc(c(cc3CC12)C)C(=O)OC)=O)c1ccccc1)=O
SPLASH splash10-014i-0009000000-081c3f17cf80f5b9e27f
Source of Spectrum AJ-59-1875-36
Synonyms methyl 7-methyl-1,3-dioxo-2-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole-6-carboxylate
Wiley ID 1341447