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6-(Trifluoromethyl)phenanthrene-9-carboxaldehyde
SpectraBase Compound ID GA69kiGtdCS
InChI InChI=1S/C16H9F3O/c17-16(18,19)12-5-6-14-11(9-20)7-10-3-1-2-4-13(10)15(14)8-12/h1-9H
InChIKey DYMZAUWHCFKNKB-UHFFFAOYSA-N
Mol Weight 274.24 g/mol
Molecular Formula C16H9F3O
Exact Mass 274.060549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeHYPtc2Vvu
Name 6-(Trifluoromethyl)phenanthrene-9-carboxaldehyde
Appearance Off-white solid
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Exact Mass 274.060549398 u
Formula C16H9F3O
InChI InChI=1S/C16H9F3O/c17-16(18,19)12-5-6-14-11(9-20)7-10-3-1-2-4-13(10)15(14)8-12/h1-9H
InChIKey DYMZAUWHCFKNKB-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 274.242 g/mol
Quality 331
Reported Formula C16H9OF3
SMILES C1=C(C=CC=2C1=C1C(=CC2C=O)C=CC=C1)C(F)(F)F
SPLASH splash10-00fs-0090000000-cba38fd175531d0f2f8e
Source of Spectrum ACI-57-SM29-1g (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.49 (P/EtOAc, 10:1)
Wiley ID 1893547