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trans-(1S,3R)-Methyl 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID FkfqD9lBhLZ
InChI InChI=1S/C21H22N2O4/c1-25-17-9-8-12(10-18(17)26-2)19-20-14(11-16(23-19)21(24)27-3)13-6-4-5-7-15(13)22-20/h4-10,16,19,22-23H,11H2,1-3H3/t16-,19+/m1/s1
InChIKey NUBFFNNCFFBKKI-APWZRJJASA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KACApCNywN
Name trans-(1S,3R)-Methyl 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-25-17-9-8-12(10-18(17)26-2)19-20-14(11-16(23-19)21(24)27-3)13-6-4-5-7-15(13)22-20/h4-10,16,19,22-23H,11H2,1-3H3/t16-,19+/m1/s1
InChIKey NUBFFNNCFFBKKI-APWZRJJASA-N
Molecular Weight 366.417 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N[C@](C2)(C(=O)OC)[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-014i-0029000000-38657080d34e07054fd0
Source of Spectrum QC-20-435-2b
Synonyms (1S,3R)-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester Methyl (1S,3R)-1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Wiley ID 1688033