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(4-(tert-butyl)phenyl)(4-(trifluoromethyl)phenyl)methanone
SpectraBase Compound ID BQvIW1DBDuL
InChI InChI=1S/C18H17F3O/c1-17(2,3)14-8-4-12(5-9-14)16(22)13-6-10-15(11-7-13)18(19,20)21/h4-11H,1-3H3
InChIKey JPJYSDOXYOZRPH-UHFFFAOYSA-N
Mol Weight 306.33 g/mol
Molecular Formula C18H17F3O
Exact Mass 306.12315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1q4rQQNqil
Name (4-(tert-butyl)phenyl)(4-(trifluoromethyl)phenyl)methanone
Appearance White solid
Carrier Gas Nitrogen
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Exact Mass 306.123149655 u
Formula C18H17F3O
InChI InChI=1S/C18H17F3O/c1-17(2,3)14-8-4-12(5-9-14)16(22)13-6-10-15(11-7-13)18(19,20)21/h4-11H,1-3H3
InChIKey JPJYSDOXYOZRPH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709553
Molecular Weight 306.328 g/mol
Quality 57
Reported Formula C18H17F3O
SMILES C(C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)C(F)(F)F)(C)(C)C
SPLASH splash10-006x-0690000000-a29f37d953d3105518ac
Source of Spectrum ACI-56-SM43-21c (DOI: 10.1002/anie.201709553)
Thin-Layer Chromatography 0.31 (SiO2, i-hexane/EtOAc, 98:2)
Wiley ID 1896753