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(4S,4aR,8aR)-4-hydroxy-7,7-dimethoxy-4a-(trifluoromethyl)-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-one
SpectraBase Compound ID JuT8bKOb69Y
InChI InChI=1S/C13H19F3O4/c1-19-11(20-2)5-6-12(13(14,15)16)8(7-11)9(17)3-4-10(12)18/h8,10,18H,3-7H2,1-2H3/t8-,10-,12+/m0/s1
InChIKey MJYLLNCBRMSCBM-PTOFAABTSA-N
Mol Weight 296.29 g/mol
Molecular Formula C13H19F3O4
Exact Mass 296.123544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ColYLag2OWp
Name (4S,4aR,8aR)-4-hydroxy-7,7-dimethoxy-4a-(trifluoromethyl)-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19F3O4
InChI InChI=1S/C13H19F3O4/c1-19-11(20-2)5-6-12(13(14,15)16)8(7-11)9(17)3-4-10(12)18/h8,10,18H,3-7H2,1-2H3/t8-,10-,12+/m0/s1
InChIKey MJYLLNCBRMSCBM-PTOFAABTSA-N
Molecular Weight 296.286 g/mol
SMILES O[C@@]1([C@@]2([C@](C(=O)CC1)(CC(CC2)(OC)OC)[H])C(F)(F)F)[H]
SPLASH splash10-0w29-0970000000-a5756d321fb0fb2c372e
Source of Spectrum KC-1991-1123-6
Synonyms (4S,4aR,8aR)-4-hydroxy-7,7-dimethoxy-4a-(trifluoromethyl)decalin-1-one (4S,4aR,8aR)-7,7-dimethoxy-4-oxidanyl-4a-(trifluoromethyl)-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-one
Wiley ID 1298719