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Methyl 1,2,6,7,8,8a-Hexahydro-2-[2-(1H-indol-3-yl)ethyl]-6-oxo-5-isoquinolinecarboxylate
SpectraBase Compound ID KT3R2En8vdz
InChI InChI=1S/C21H22N2O3/c1-26-21(25)20-17-9-11-23(13-15(17)6-7-19(20)24)10-8-14-12-22-18-5-3-2-4-16(14)18/h2-5,9,11-12,15,22H,6-8,10,13H2,1H3
InChIKey MFGOCEMFMJREBA-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0tUnXM30Fw
Name Methyl 1,2,6,7,8,8a-Hexahydro-2-[2-(1H-indol-3-yl)ethyl]-6-oxo-5-isoquinolinecarboxylate
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Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-26-21(25)20-17-9-11-23(13-15(17)6-7-19(20)24)10-8-14-12-22-18-5-3-2-4-16(14)18/h2-5,9,11-12,15,22H,6-8,10,13H2,1H3
InChIKey MFGOCEMFMJREBA-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES [nH]1c2c(c(c1)CCN1CC3C(=C(C(=O)OC)C(CC3)=O)C=C1)cccc2
SPLASH splash10-00dr-1962000000-7215020c8a9b9d203c2a
Source of Spectrum J-56-2709-38
Synonyms Methyl 2-[2-(1H-indol-3-yl)ethyl]-6-oxo-1,2,6,7,8,8a-hexahydro-5-isoquinolinecarboxylate
Wiley ID 1342092