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5-Hexanoyl-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID KXFt5elgIrK
InChI InChI=1S/C19H28N2O/c1-4-5-6-7-19(22)21-17-9-8-14(2)12-15(17)16-13-20(3)11-10-18(16)21/h8-9,12,16,18H,4-7,10-11,13H2,1-3H3/t16-,18-/m0/s1
InChIKey BGRBXELRMMVNBC-WMZOPIPTSA-N
Mol Weight 300.45 g/mol
Molecular Formula C19H28N2O
Exact Mass 300.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnwRnnY6k29
Name 5-Hexanoyl-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CAS Registry Number 293727-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N2O
InChI InChI=1S/C19H28N2O/c1-4-5-6-7-19(22)21-17-9-8-14(2)12-15(17)16-13-20(3)11-10-18(16)21/h8-9,12,16,18H,4-7,10-11,13H2,1-3H3/t16-,18-/m0/s1
InChIKey BGRBXELRMMVNBC-WMZOPIPTSA-N
Molecular Weight 300.446 g/mol
SMILES CCCCCC(N1[C@@]2([C@](CN(CC2)C)([H])c2c1ccc(C)c2)[H])=O
SPLASH splash10-0a4i-9100000000-6630a2e84fb7f9aff5b3
Source of Spectrum AD-0-2532-0
Synonyms 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-1-hexanone 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]hexan-1-one 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]hexan-1-one cis-Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-hexanoyl-2,8-dimethyl-
Wiley ID 1430694