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(2R)-2-(4-Methoxy-3-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran
SpectraBase Compound ID AQH36vNmP0R
InChI InChI=1S/C13H13F3O2/c1-8-7-9(3-4-10(8)17-2)11-5-6-12(18-11)13(14,15)16/h3-4,6-7,11H,5H2,1-2H3/t11-/m1/s1
InChIKey KEIMMZSKSJOUHG-LLVKDONJSA-N
Mol Weight 258.24 g/mol
Molecular Formula C13H13F3O2
Exact Mass 258.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXJE41YhMCw
Name (2R)-2-(4-Methoxy-3-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran
Appearance Yellow oil
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Exact Mass 258.086764146 u
Formula C13H13F3O2
InChI InChI=1S/C13H13F3O2/c1-8-7-9(3-4-10(8)17-2)11-5-6-12(18-11)13(14,15)16/h3-4,6-7,11H,5H2,1-2H3/t11-/m1/s1
InChIKey KEIMMZSKSJOUHG-LLVKDONJSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 258.240 g/mol
Optical Rotation [a]D20 = +13.8 (c = 1.0, CH2Cl2)
Quality 205
Reported Formula C13H13O2F3
SMILES [C@@]1(OC(=CC1)C(F)(F)F)(C1=CC=C(C(=C1)C)OC)[H]
SPLASH splash10-08fr-1920000000-1e4126d866928539ab0f
Sample Comments er = 98:2
Source of Spectrum ACI-57-SM44-5e (DOI: 10.1002/anie.201804614)
Wiley ID 1893063