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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-(phenylmethyl)-, ethyl ester, cis-
SpectraBase Compound ID MK9xWXmuYE
InChI InChI=1S/C21H22N2O3/c1-2-26-21(24)19-13-16-15-10-6-7-11-17(15)22-20(16)18(23(19)25)12-14-8-4-3-5-9-14/h3-11,18-19,22,25H,2,12-13H2,1H3/t18-,19-/m0/s1
InChIKey JPCYIQIKUKEMJV-OALUTQOASA-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 8J57nb2D6qu
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-(phenylmethyl)-, ethyl ester, cis-
Alternate Name(s) cis-1-benzyl-2-hydroxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline Ethyl (1S,3S)-1-benzyl-2-hydroxy-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate
CAS Registry Number 129168-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-2-26-21(24)19-13-16-15-10-6-7-11-17(15)22-20(16)18(23(19)25)12-14-8-4-3-5-9-14/h3-11,18-19,22,25H,2,12-13H2,1H3/t18-,19-/m0/s1
InChIKey JPCYIQIKUKEMJV-OALUTQOASA-N
Molecular Weight 350.418 g/mol
SMILES ON1[C@@](Cc2c([C@@]1(Cc1ccccc1)[H])[nH]c1ccccc21)(C(=O)OCC)[H]
SPLASH splash10-0a4i-0390000000-1a6aeda20ec6902063b0
Source of Spectrum F-46-842-6
Wiley ID 1342084