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2-Hydroxy-4-(4-chlorophenyl)-2-trifluoromethyl-bicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID 3lMNv5ZIm9Y
InChI InChI=1S/C16H16ClF3O2/c17-10-6-4-9(5-7-10)12-8-15(22,16(18,19)20)13-3-1-2-11(12)14(13)21/h4-7,11-13,22H,1-3,8H2/t11-,12?,13-,15?/m0/s1
InChIKey CLNJUPTVVPMEPW-UHFFFAOYSA-N
Mol Weight 332.75 g/mol
Molecular Formula C16H16ClF3O2
Exact Mass 332.079092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYCedsU42Vq
Name 2-Hydroxy-4-(4-chlorophenyl)-2-trifluoromethyl-bicyclo[3.3.1]nonan-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H16ClF3O2
InChI InChI=1S/C16H16ClF3O2/c17-10-6-4-9(5-7-10)12-8-15(22,16(18,19)20)13-3-1-2-11(12)14(13)21/h4-7,11-13,22H,1-3,8H2/t11-,12?,13-,15?/m0/s1
InChIKey CLNJUPTVVPMEPW-UHFFFAOYSA-N
Molecular Weight 332.750 g/mol
SMILES OC1([C@@]2(C(=O)[C@](C(C1)c1ccc(cc1)Cl)(CCC2)[H])[H])C(F)(F)F
SPLASH splash10-0002-9003000000-b6ff1fc475a418744db2
Source of Spectrum F4-40-3972-2q
Wiley ID 1671486