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(2S,4aS,5R,8aR)-1-benzoyl-5-methyl-2-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
SpectraBase Compound ID DMehffPPPkk
InChI InChI=1S/C20H27NO2/c1-3-7-16-10-11-17-14(2)19(22)13-12-18(17)21(16)20(23)15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,3,7,10-13H2,1-2H3/t14-,16+,17+,18-/m1/s1
InChIKey AQFWVQKRKCAHEK-LAVFITLUSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRF6uSsl9zP
Name (2S,4aS,5R,8aR)-1-benzoyl-5-methyl-2-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-3-7-16-10-11-17-14(2)19(22)13-12-18(17)21(16)20(23)15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,3,7,10-13H2,1-2H3/t14-,16+,17+,18-/m1/s1
InChIKey AQFWVQKRKCAHEK-LAVFITLUSA-N
Molecular Weight 313.441 g/mol
SMILES [C@]12(N([C@](CC[C@]2([C@@](C)(C(CC1)=O)[H])[H])(CCC)[H])C(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-3390000000-b643768a535bd7ba3e0b
Source of Spectrum KC-0-1122-34
Synonyms (2S,4aS,5R,8aR)-5-methyl-1-(phenylcarbonyl)-2-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
Wiley ID 785669