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1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-ol
SpectraBase Compound ID 2LjDvJM70pU
InChI InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKey KFULPSDZEIHRRE-UHFFFAOYSA-N
Mol Weight 224.61 g/mol
Molecular Formula C9H8ClF3O
Exact Mass 224.021577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LX4AuULOIAe
Name 1-(4-Chlorophenyl)-3,3,3-trifluoropropan-1-ol
Appearance Pale yellow oil
Carrier Gas Helium (1 ml/min)
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Exact Mass 224.021577066 u
Formula C9H8ClF3O
GC Column TR-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H8ClF3O/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8,14H,5H2
InChIKey KFULPSDZEIHRRE-UHFFFAOYSA-N
Instrument Name ThermoFisher Focus-DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804708
Molecular Weight 224.610 g/mol
Quality 118
SMILES OC(C1=CC=C(C=C1)Cl)CC(F)(F)F
SPLASH splash10-0006-0900000000-c8f42d5c853deb5d845b
Source of Spectrum QE-24-SM11-2d (DOI: 10.1002/chem.201804708)
Wiley ID 1901866