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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-propyl-, ethyl ester, trans-
SpectraBase Compound ID 63voRT53FTE
InChI InChI=1S/C17H22N2O3/c1-3-7-14-16-12(11-8-5-6-9-13(11)18-16)10-15(19(14)21)17(20)22-4-2/h5-6,8-9,14-15,18,21H,3-4,7,10H2,1-2H3/t14-,15+/m0/s1
InChIKey HSESITOJJXKSOX-LSDHHAIUSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDUvu3A1mk
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-hydroxy-1-propyl-, ethyl ester, trans-
Alternate Name(s) Ethyl (1S,3R)-2-hydroxy-1-propyl-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate trans-1-n-propyl-2-hydroxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline
CAS Registry Number 129169-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-3-7-14-16-12(11-8-5-6-9-13(11)18-16)10-15(19(14)21)17(20)22-4-2/h5-6,8-9,14-15,18,21H,3-4,7,10H2,1-2H3/t14-,15+/m0/s1
InChIKey HSESITOJJXKSOX-LSDHHAIUSA-N
Molecular Weight 302.374 g/mol
SMILES ON1[C@](Cc2c([C@@]1(CCC)[H])[nH]c1ccccc21)(C(=O)OCC)[H]
SPLASH splash10-052r-0492000000-b5be65f5c4d6e825501e
Source of Spectrum F-46-842-7
Wiley ID 1304721