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6H-Azocino[2,1-a]isoquinoline-9-carboxylic acid, 5,8,9,10,11,12-hexahydro-2,3-dimethoxy-8-oxo-, methyl ester
SpectraBase Compound ID KwYIg5c4j3C
InChI InChI=1S/C19H23NO5/c1-23-16-10-12-8-9-20-15(14(12)11-17(16)24-2)7-5-4-6-13(18(20)21)19(22)25-3/h7,10-11,13H,4-6,8-9H2,1-3H3/b15-7-
InChIKey XBANLNAMPOUFSG-CHHVJCJISA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39tqJaRwEaf
Name 6H-Azocino[2,1-a]isoquinoline-9-carboxylic acid, 5,8,9,10,11,12-hexahydro-2,3-dimethoxy-8-oxo-, methyl ester
CAS Registry Number 78631-85-3
Comments Less than 3 mono-isotopic peaks
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Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-23-16-10-12-8-9-20-15(14(12)11-17(16)24-2)7-5-4-6-13(18(20)21)19(22)25-3/h7,10-11,13H,4-6,8-9H2,1-3H3/b15-7-
InChIKey XBANLNAMPOUFSG-CHHVJCJISA-N
Molecular Weight 345.395 g/mol
SMILES C1(N2\C(=C/CCCC1C(=O)OC)c1cc(OC)c(cc1CC2)OC)=O
SPLASH splash10-0a4j-0089000000-a832b8f4e19f41c32cbf
Source of Spectrum K-114-2174-0
Synonyms methyl 2,3-dimethoxy-8-oxo-5,8,9,10,11,12-hexahydro-6H-azocino[2,1-a]isoquinoline-9-carboxylate Methylester of 5,8,9,10,11,12-hexahydro-2,3-dimethoxy-8-oxo-6H-azocino[2,1-a]isoquinolin-9-carboxylic acid
Wiley ID 1338674