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rac-(2S,4aS,5R,8aS)-1-Benzyl-5-methyl-2-propyl-decahydroquinoline
SpectraBase Compound ID FxbfzMGXcHF
InChI InChI=1S/C20H31N/c1-3-8-18-13-14-19-16(2)9-7-12-20(19)21(18)15-17-10-5-4-6-11-17/h4-6,10-11,16,18-20H,3,7-9,12-15H2,1-2H3/t16-,18+,19+,20+/m1/s1
InChIKey QLNLLKVCOCBYLH-GTAWCEEGSA-N
Mol Weight 285.47 g/mol
Molecular Formula C20H31N
Exact Mass 285.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHSKiRxagtu
Name rac-(2S,4aS,5R,8aS)-1-Benzyl-5-methyl-2-propyl-decahydroquinoline
Alternate Name(s) (2S,4aS,5R,8aS)-1-benzyl-5-methyl-2-propyldecahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N
InChI InChI=1S/C20H31N/c1-3-8-18-13-14-19-16(2)9-7-12-20(19)21(18)15-17-10-5-4-6-11-17/h4-6,10-11,16,18-20H,3,7-9,12-15H2,1-2H3/t16-,18+,19+,20+/m1/s1
InChIKey QLNLLKVCOCBYLH-GTAWCEEGSA-N
Molecular Weight 285.475 g/mol
SMILES [C@@]12(N([C@](CC[C@]2([C@](C)(CCC1)[H])[H])(CCC)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-1090000000-035d62c1f5da1cd659f8
Source of Spectrum C5-2004-3052-11
Wiley ID 1617694