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methyl 6-methyl-11,13-dioxo-12-pheny-12-aza-tricyclo[8.3.0.0(3,8)]tridec-3(8),4,6-trien-4-carboxylate
SpectraBase Compound ID 9uKlo8GYGej
InChI InChI=1S/C21H19NO4/c1-12-8-13-10-16-17(11-15(13)18(9-12)21(25)26-2)20(24)22(19(16)23)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3
InChIKey OTITWESZIUOAHK-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 4jLXIuEXheI
Name methyl 6-methyl-11,13-dioxo-12-pheny-12-aza-tricyclo[8.3.0.0(3,8)]tridec-3(8),4,6-trien-4-carboxylate
CAS Registry Number 108200-92-6
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c1-12-8-13-10-16-17(11-15(13)18(9-12)21(25)26-2)20(24)22(19(16)23)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3
InChIKey OTITWESZIUOAHK-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES C1(N(C(C2Cc3c(cc(cc3CC12)C)C(=O)OC)=O)c1ccccc1)=O
SPLASH splash10-014i-0009000000-5b0642bdddea07e2a380
Source of Spectrum AJ-59-1875-37
Synonyms methyl 7-methyl-1,3-dioxo-2-phenyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole-5-carboxylate
Wiley ID 1341448