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Methyl (1R,3S)-1,2,3,4-tetrahydro-1-(2'-methylpropyl)-7-(2'-nitrobenzyloxy)-9H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID BvLWeWQrUZQ
InChI InChI=1S/C24H27N3O5/c1-14(2)10-20-23-18(12-21(25-20)24(28)31-3)17-9-8-16(11-19(17)26-23)32-13-15-6-4-5-7-22(15)27(29)30/h4-9,11,14,20-21,25-26H,10,12-13H2,1-3H3/t20-,21+/m1/s1
InChIKey MIOVQEWTUCJIPU-RTWAWAEBSA-N
Mol Weight 437.5 g/mol
Molecular Formula C24H27N3O5
Exact Mass 437.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDrMlMO1HVM
Name Methyl (1R,3S)-1,2,3,4-tetrahydro-1-(2'-methylpropyl)-7-(2'-nitrobenzyloxy)-9H-pyrido[3,4-b]indole-3-carboxylate
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Formula C24H27N3O5
InChI InChI=1S/C24H27N3O5/c1-14(2)10-20-23-18(12-21(25-20)24(28)31-3)17-9-8-16(11-19(17)26-23)32-13-15-6-4-5-7-22(15)27(29)30/h4-9,11,14,20-21,25-26H,10,12-13H2,1-3H3/t20-,21+/m1/s1
InChIKey MIOVQEWTUCJIPU-RTWAWAEBSA-N
Molecular Weight 437.496 g/mol
SMILES [nH]1c2c(c3C[C@](N[C@@](c13)(CC(C)C)[H])(C(=O)OC)[H])ccc(c2)OCc1c(N(=O)=O)cccc1
SPLASH splash10-001s-0569200000-653595a701b23fd2a011
Source of Spectrum H-79-165-27
Synonyms Methyl (1R,3S)-1-isobutyl-7-[(2-nitrobenzyl)oxy]-2,3,4,9-tetrahydro-1H-.beta.-carboline-3-carboxylate (1R,3S)-1-(2-methylpropyl)-7-[(2-nitrophenyl)methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester Methyl (1R,3S)-1-isobutyl-7-[(2-nitrophenyl)methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Methyl (1R,3S)-1-(2-methylpropyl)-7-[(2-nitrophenyl)methoxy]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Wiley ID 1383812