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2-Methyl-6-(trifluoromethyl)phenanthrene-9-carboxaldehyde
SpectraBase Compound ID EBONEFWijsv
InChI InChI=1S/C17H11F3O/c1-10-2-4-14-11(6-10)7-12(9-21)15-5-3-13(8-16(14)15)17(18,19)20/h2-9H,1H3
InChIKey AZAHZAIGBNQAJS-UHFFFAOYSA-N
Mol Weight 288.27 g/mol
Molecular Formula C17H11F3O
Exact Mass 288.076199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBVcOjt0XVt
Name 2-Methyl-6-(trifluoromethyl)phenanthrene-9-carboxaldehyde
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.076199462 u
Formula C17H11F3O
InChI InChI=1S/C17H11F3O/c1-10-2-4-14-11(6-10)7-12(9-21)15-5-3-13(8-16(14)15)17(18,19)20/h2-9H,1H3
InChIKey AZAHZAIGBNQAJS-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808919
Molecular Weight 288.269 g/mol
Quality 331
Reported Formula C17H11OF3
SMILES CC1=CC=2C(=C3C(C=CC(=C3)C(F)(F)F)=C(C2)C=O)C=C1
SPLASH splash10-000i-0290000000-39525187c0af4fb1defd
Source of Spectrum ACI-57-SM33-1i (DOI: 10.1002/anie.201808919)
Thin-Layer Chromatography 0.48 (P/EtOAc, 10:1)
Wiley ID 1893549