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(1R,3S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
SpectraBase Compound ID 60k5bcDXg8z
InChI InChI=1S/C17H22N2O2/c1-10(2)8-14-16-12(9-15(18-14)17(20)21-3)11-6-4-5-7-13(11)19-16/h4-7,10,14-15,18-19H,8-9H2,1-3H3/t14-,15+/m1/s1
InChIKey LFBDUYMSBJXRJJ-CABCVRRESA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Q247OuZeTX
Name (1R,3S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-10(2)8-14-16-12(9-15(18-14)17(20)21-3)11-6-4-5-7-13(11)19-16/h4-7,10,14-15,18-19H,8-9H2,1-3H3/t14-,15+/m1/s1
InChIKey LFBDUYMSBJXRJJ-CABCVRRESA-N
Molecular Weight 286.375 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](N[C@@](C2)(C(=O)OC)[H])(CC(C)C)[H]
SPLASH splash10-004i-0090000000-99b858baacfaa7562570
Source of Spectrum E1-37-28-12
Synonyms (1R,3S)-1-isobutyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester methyl (1R,3S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate methyl (1R,3S)-1-isobutyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Wiley ID 1517546