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(E)-2-(4-Methyldihydrofuran-3(2H)-ylidene)-2-(4-(trifluoromethyl)phenyl)acetaldehyde
SpectraBase Compound ID 5IUvHcRuU3E
InChI InChI=1S/C14H13F3O2/c1-9-7-19-8-13(9)12(6-18)10-2-4-11(5-3-10)14(15,16)17/h2-6,9H,7-8H2,1H3/b13-12+
InChIKey GUDLBAVGRRWKRQ-OUKQBFOZSA-N
Mol Weight 270.25 g/mol
Molecular Formula C14H13F3O2
Exact Mass 270.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CehHu0Wl9R7
Name (E)-2-(4-Methyldihydrofuran-3(2H)-ylidene)-2-(4-(trifluoromethyl)phenyl)acetaldehyde
Appearance White solid
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Exact Mass 270.086764146 u
Formula C14H13F3O2
InChI InChI=1S/C14H13F3O2/c1-9-7-19-8-13(9)12(6-18)10-2-4-11(5-3-10)14(15,16)17/h2-6,9H,7-8H2,1H3/b13-12+
InChIKey GUDLBAVGRRWKRQ-OUKQBFOZSA-N
Instrument Name JEOL JMS-700 MStation or JMS-Q1000TD TLC-MS
Ionization Type EI
Literature Reference DOI 10.1002/asia.202201241
Molecular Weight 270.251 g/mol
Optical Rotation [a]D33 = -49.1 (c = 1.02, CHCl3)
Quality 132
Reported Formula C14H13F3O2
SMILES CC1\C(COC1)=C/(C=O)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-00fr-0930000000-576f4d7287f6b0ddce26
Sample Comments 90% ee
Source of Spectrum CAJ-18-SM14-2l (DOI: 10.1002/asia.202201241)
Thin-Layer Chromatography 0.29 (n-hexane/AcOEt, 3:1)
Wiley ID 1901134