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3-Fluoro-6-(trifluoromethyl)phenanthrene-9-carboxaldehyde
SpectraBase Compound ID 6HsGSBnsrRm
InChI InChI=1S/C16H8F4O/c17-12-3-1-9-5-10(8-21)13-4-2-11(16(18,19)20)6-15(13)14(9)7-12/h1-8H
InChIKey WQXIXEIWIDYWPX-UHFFFAOYSA-N
Mol Weight 292.23 g/mol
Molecular Formula C16H8F4O
Exact Mass 292.051128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDBJYSpWZ2i
Name 3-Fluoro-6-(trifluoromethyl)phenanthrene-9-carboxaldehyde
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.051127529 u
Formula C16H8F4O
InChI InChI=1S/C16H8F4O/c17-12-3-1-9-5-10(8-21)13-4-2-11(16(18,19)20)6-15(13)14(9)7-12/h1-8H
InChIKey WQXIXEIWIDYWPX-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 292.233 g/mol
Quality 359
Reported Formula C16H8OF4
SMILES C1=CC=2C(=C3C(C=CC(=C3)C(F)(F)F)=C(C2)C=O)C=C1F
SPLASH splash10-0006-0090000000-386a80bbf3d14dde0545
Source of Spectrum ACI-57-SM37-1k (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.27 (P/EtOAc, 10:1)
Wiley ID 1893551