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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-methyl-, ethyl ester, (1S-trans)-
SpectraBase Compound ID KecBKpMDotx
InChI InChI=1S/C15H18N2O3/c1-3-20-15(18)13-8-11-10-6-4-5-7-12(10)16-14(11)9(2)17(13)19/h4-7,9,13,16,19H,3,8H2,1-2H3/t9-,13+/m1/s1
InChIKey IMCIOVBKESMKKJ-RNCFNFMXSA-N
Mol Weight 274.32 g/mol
Molecular Formula C15H18N2O3
Exact Mass 274.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5UCLFqZJZa
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-methyl-, ethyl ester, (1S-trans)-
Alternate Name(s) 1-Methyl-2-hydroxy-3-(ethoxycarbonyl)-1,2,3,4-tetrahydro-.beta.-carboline (trans) Ethyl (1R,3S)-2-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate
CAS Registry Number 106268-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O3
InChI InChI=1S/C15H18N2O3/c1-3-20-15(18)13-8-11-10-6-4-5-7-12(10)16-14(11)9(2)17(13)19/h4-7,9,13,16,19H,3,8H2,1-2H3/t9-,13+/m1/s1
InChIKey IMCIOVBKESMKKJ-RNCFNFMXSA-N
Molecular Weight 274.320 g/mol
SMILES ON1[C@@](Cc2c([C@]1(C)[H])[nH]c1ccccc21)(C(=O)OCC)[H]
SPLASH splash10-0a59-0930000000-e5346db72972233f2eaa
Source of Spectrum J-52-558-7
Wiley ID 1278096