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anti-(+)-(2R,1'S)-2-[Hydroxy(4-(trifluoromehyl)phenyl)methyl]cycloheptanone
SpectraBase Compound ID EUnikoJRJQa
InChI InChI=1S/C15H17F3O2/c16-15(17,18)11-8-6-10(7-9-11)14(20)12-4-2-1-3-5-13(12)19/h6-9,12,14,20H,1-5H2/t12-,14+/m0/s1
InChIKey LBPYQDXQPMHVIZ-GXTWGEPZSA-N
Mol Weight 286.29 g/mol
Molecular Formula C15H17F3O2
Exact Mass 286.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT1qqJsPtAX
Name anti-(+)-(2R,1'S)-2-[Hydroxy(4-(trifluoromehyl)phenyl)methyl]cycloheptanone
Comments Less than 3 mono-isotopic peaks
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Formula C15H17F3O2
InChI InChI=1S/C15H17F3O2/c16-15(17,18)11-8-6-10(7-9-11)14(20)12-4-2-1-3-5-13(12)19/h6-9,12,14,20H,1-5H2/t12-,14+/m0/s1
InChIKey LBPYQDXQPMHVIZ-GXTWGEPZSA-N
Molecular Weight 286.294 g/mol
SMILES O[C@@]([C@@]1(C(=O)CCCCC1)[H])(c1ccc(C(F)(F)F)cc1)[H]
SPLASH splash10-03di-0900000000-314fbab339c20873a96a
Source of Spectrum F-54-10400-0
Wiley ID 808499