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Octan-1-one, 1-(1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5-pyrido[4,3-b]indolyl)-
SpectraBase Compound ID 4RuykucOcdb
InChI InChI=1S/C21H32N2O/c1-4-5-6-7-8-9-21(24)23-19-11-10-16(2)14-17(19)18-15-22(3)13-12-20(18)23/h10-11,14,18,20H,4-9,12-13,15H2,1-3H3/t18-,20-/m0/s1
InChIKey CHHJWGCLCMHHJB-ICSRJNTNSA-N
Mol Weight 328.5 g/mol
Molecular Formula C21H32N2O
Exact Mass 328.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t9d4QqhDVD
Name Octan-1-one, 1-(1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-5-pyrido[4,3-b]indolyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2O
InChI InChI=1S/C21H32N2O/c1-4-5-6-7-8-9-21(24)23-19-11-10-16(2)14-17(19)18-15-22(3)13-12-20(18)23/h10-11,14,18,20H,4-9,12-13,15H2,1-3H3/t18-,20-/m0/s1
InChIKey CHHJWGCLCMHHJB-ICSRJNTNSA-N
Molecular Weight 328.500 g/mol
SMILES CCCCCCCC(N1[C@@]2([C@](CN(CC2)C)([H])c2c1ccc(C)c2)[H])=O
SPLASH splash10-0a4i-9100000000-2a1e1922dc310a8d917a
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-octanone 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]octan-1-one 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]octan-1-one 2,8-Dimethyl-5-octanoyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Wiley ID 1426197