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2-Propanone, 1-(2,3,4,4a,5,6,7,8-octahydro-4a-hydroxy-7-methyl-5-quinolinyl)-, (4a.alpha.,5.beta.,7.alpha.)-(.+-.)-
SpectraBase Compound ID 3pLshvsTeet
InChI InChI=1S/C13H21NO2/c1-9-6-11(8-10(2)15)13(16)4-3-5-14-12(13)7-9/h9,11,16H,3-8H2,1-2H3/t9-,11+,13+/m0/s1
InChIKey PZZTWSWKONITSO-UFGOTCBOSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ui9hsn80e
Name 2-Propanone, 1-(2,3,4,4a,5,6,7,8-octahydro-4a-hydroxy-7-methyl-5-quinolinyl)-, (4a.alpha.,5.beta.,7.alpha.)-(.+-.)-
Alternate Name(s) (4aSR,5SR,7RS)-4a-hydroxy-7-methyl-5-(2-oxopropyl)-2,3,4,4a,5,6,7,8-octahydroquinoline 1-[(4aR,5R,7S)-4a-hydroxy-7-methyl-2,3,4,4a,5,6,7,8-octahydro-5-quinolinyl]acetone
CAS Registry Number 76405-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-9-6-11(8-10(2)15)13(16)4-3-5-14-12(13)7-9/h9,11,16H,3-8H2,1-2H3/t9-,11+,13+/m0/s1
InChIKey PZZTWSWKONITSO-UFGOTCBOSA-N
Molecular Weight 223.316 g/mol
SMILES O[C@@]12C(=NCCC2)C[C@](C[C@@]1(CC(=O)C)[H])(C)[H]
SPLASH splash10-0ue9-0490000000-f6b3f4b2796217277937
Source of Spectrum C-104-1067-0
Wiley ID 1224067