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(8S)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
SpectraBase Compound ID KUuquQLbHsL
InChI InChI=1S/C23H23N5O4/c1-4-32-22(29)28-8-7-15-16(10-24)21(27)23(12-25,13-26)20(17(15)11-28)14-5-6-18(30-2)19(9-14)31-3/h5-7,9,17,20H,4,8,11,27H2,1-3H3/t17?,20-/m1/s1
InChIKey IIJLFGCSSSNMSQ-UUSAFJCLSA-N
Mol Weight 433.47 g/mol
Molecular Formula C23H23N5O4
Exact Mass 433.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eju4GOeLY3P
Name (8S)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester
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Formula C23H23N5O4
InChI InChI=1S/C23H23N5O4/c1-4-32-22(29)28-8-7-15-16(10-24)21(27)23(12-25,13-26)20(17(15)11-28)14-5-6-18(30-2)19(9-14)31-3/h5-7,9,17,20H,4,8,11,27H2,1-3H3/t17?,20-/m1/s1
InChIKey IIJLFGCSSSNMSQ-UUSAFJCLSA-N
Molecular Weight 433.468 g/mol
SMILES NC1=C(C#N)C=2C([C@](C1(C#N)C#N)(c1cc(OC)c(cc1)OC)[H])CN(C(=O)OCC)CC2
SPLASH splash10-0udi-7943700000-f0074bd4fb0eae9405e2
Synonyms Ethyl (8S)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Ethyl (8S)-6-azanyl-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Ethyl 6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Wiley ID 1447041