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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-butoxy-2,3,4,9-tetrahydro-1-methyl-, ethyl ester, trans-
SpectraBase Compound ID I4pbUPqB0eF
InChI InChI=1S/C19H26N2O3/c1-4-6-11-24-21-13(3)18-15(12-17(21)19(22)23-5-2)14-9-7-8-10-16(14)20-18/h7-10,13,17,20H,4-6,11-12H2,1-3H3/t13-,17+/m0/s1
InChIKey LESVIKSEFVOMDN-SUMWQHHRSA-N
Mol Weight 330.43 g/mol
Molecular Formula C19H26N2O3
Exact Mass 330.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWGBiyxHe17
Name 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2-butoxy-2,3,4,9-tetrahydro-1-methyl-, ethyl ester, trans-
CAS Registry Number 129169-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O3
InChI InChI=1S/C19H26N2O3/c1-4-6-11-24-21-13(3)18-15(12-17(21)19(22)23-5-2)14-9-7-8-10-16(14)20-18/h7-10,13,17,20H,4-6,11-12H2,1-3H3/t13-,17+/m0/s1
InChIKey LESVIKSEFVOMDN-SUMWQHHRSA-N
Molecular Weight 330.428 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@](C2)(C(=O)OCC)[H])OCCCC)(C)[H]
SPLASH splash10-0a4i-0910000000-37e6e2972a79f2570b22
Source of Spectrum F-46-844-7
Synonyms Ethyl (1S,3R)-2-butoxy-1-methyl-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate trans-1-methyl-2-butoxy-3-ethoxycarbonyl-1,2,3,4-tetrahydro-.beta.-carboline
Wiley ID 1327989