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2,2,2-Trifluoro-1-(1S,2S)-(2-(4-methoxy-3-methylphenyl)cyclopropyl)ethan-1-ol
SpectraBase Compound ID APuyR5j6mEk
InChI InChI=1S/C13H15F3O2/c1-7-5-8(3-4-11(7)18-2)9-6-10(9)12(17)13(14,15)16/h3-5,9-10,12,17H,6H2,1-2H3/t9-,10+,12?/m1/s1
InChIKey HURKMSFLTHCCDD-WFCWDVHWSA-N
Mol Weight 260.26 g/mol
Molecular Formula C13H15F3O2
Exact Mass 260.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K96BRLflL1p
Name 2,2,2-Trifluoro-1-(1S,2S)-(2-(4-methoxy-3-methylphenyl)cyclopropyl)ethan-1-ol
Appearance Colorless oil
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Formula C13H15F3O2
InChI InChI=1S/C13H15F3O2/c1-7-5-8(3-4-11(7)18-2)9-6-10(9)12(17)13(14,15)16/h3-5,9-10,12,17H,6H2,1-2H3/t9-,10+,12?/m1/s1
InChIKey HURKMSFLTHCCDD-WFCWDVHWSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 260.256 g/mol
Quality 118
Reported Formula C13H15O2F3
SMILES OC([C@@]1([C@@](C=2C=C(C(=CC2)OC)C)(C1)[H])[H])C(F)(F)F
SPLASH splash10-03di-1920000000-0914c8d9b178e9bb1bd1
Source of Spectrum ACI-57-SM28-SI-6e (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.60 (petroleum ether/EtOAc, 8:2)
Wiley ID 1893076