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1(S/R)-(Methoxycarbonyl)-3-benzyl-5-oxo-4-azatricyclo[7.6.4.3.0.0]dodeca-6(11),7,9,12(10)-tetraene
SpectraBase Compound ID B6iwaFBKnjn
InChI InChI=1S/C20H17NO3/c1-24-20(23)17-12-14(11-13-7-3-2-4-8-13)21-18(17)15-9-5-6-10-16(15)19(21)22/h2-10,14H,11-12H2,1H3
InChIKey VCOAVOKMENTPRY-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C20H17NO3
Exact Mass 319.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9FUTbpuDNV
Name 1(S/R)-(Methoxycarbonyl)-3-benzyl-5-oxo-4-azatricyclo[7.6.4.3.0.0]dodeca-6(11),7,9,12(10)-tetraene
Alternate Name(s) Methyl 12-benzyl-2-oxo-1-azatricyclo[7.3.0.0(3,8)]dodeca-3,4,6,9-tetraene-10-carboxylate isomer Methyl 3-benzyl-5-oxo-2,5-dihydro-3H-pyrrolo[2,1-a]isoindole-1-carboxylate
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Formula C20H17NO3
InChI InChI=1S/C20H17NO3/c1-24-20(23)17-12-14(11-13-7-3-2-4-8-13)21-18(17)15-9-5-6-10-16(15)19(21)22/h2-10,14H,11-12H2,1H3
InChIKey VCOAVOKMENTPRY-UHFFFAOYSA-N
Molecular Weight 319.360 g/mol
SMILES C1=2N(C(CC2C(=O)OC)Cc2ccccc2)C(c2ccccc12)=O
SPLASH splash10-004i-0590000000-70d008d15ae3bc60a1f7
Source of Spectrum C-117-2708-53
Wiley ID 758724