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3,3,3-trifluoro-1-(4-nitrophenyl)propan-1-ol
SpectraBase Compound ID 2j7CU2gtafE
InChI InChI=1S/C9H8F3NO3/c10-9(11,12)5-8(14)6-1-3-7(4-2-6)13(15)16/h1-4,8,14H,5H2
InChIKey QWLDWZIITHRTAI-UHFFFAOYSA-N
Mol Weight 235.16 g/mol
Molecular Formula C9H8F3NO3
Exact Mass 235.045628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31oDRt24BYy
Name 3,3,3-trifluoro-1-(4-nitrophenyl)propan-1-ol
Appearance Pale yellow oil
Carrier Gas Helium (1 ml/min)
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Exact Mass 235.045627608 u
Formula C9H8F3NO3
GC Column TR-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H8F3NO3/c10-9(11,12)5-8(14)6-1-3-7(4-2-6)13(15)16/h1-4,8,14H,5H2
InChIKey QWLDWZIITHRTAI-UHFFFAOYSA-N
Instrument Name ThermoFisher Focus-DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804708
Molecular Weight 235.162 g/mol
Quality 40
SMILES OC(C1=CC=C(C=C1)[N+]([O-])=O)CC(F)(F)F
SPLASH splash10-0udi-0900000000-641729236bd6a4c79c5f
Source of Spectrum QE-24-SM12-2i (DOI: 10.1002/chem.201804708)
Wiley ID 1901868