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(4aR',9bS')-2,8-Dimethyl-5-[2-(6-methylpyrid-3-yl)ethyl]-2,3,4,4a,9b-hexahydro-1H-pyrido[4,3-b]-indole
SpectraBase Compound ID 8KkIPSQkRt5
InChI InChI=1S/C21H27N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13,19,21H,8-11,14H2,1-3H3/t19-,21-/m0/s1
InChIKey GOCKVWBQSRYQFB-FPOVZHCZSA-N
Mol Weight 321.47 g/mol
Molecular Formula C21H27N3
Exact Mass 321.220498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILXnL5VOW8T
Name (4aR',9bS')-2,8-Dimethyl-5-[2-(6-methylpyrid-3-yl)ethyl]-2,3,4,4a,9b-hexahydro-1H-pyrido[4,3-b]-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3
InChI InChI=1S/C21H27N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13,19,21H,8-11,14H2,1-3H3/t19-,21-/m0/s1
InChIKey GOCKVWBQSRYQFB-FPOVZHCZSA-N
Molecular Weight 321.468 g/mol
SMILES [C@@]12(N(c3c([C@@]2(CN(CC1)C)[H])cc(cc3)C)CCc1cnc(cc1)C)[H]
SPLASH splash10-00di-9100000000-46e265ff0b5c680789c2
Source of Spectrum HC-46-1246-2
Synonyms (4aS',9bR')-2,8-Dimethyl-5-[2-(6-methylpyrid-3-yl)ethyl]-2,3,4,4a,9b-hexahydro-1H-pyrido[4,3-b]-indole (4aS,9bR)-2,8-dimethyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Wiley ID 1734067