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4'-pentanoyl-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID Fj9TLzW35hl
InChI InChI=1S/C18H17NO/c1-2-3-4-18(20)17-11-9-16(10-12-17)15-7-5-14(13-19)6-8-15/h5-12H,2-4H2,1H3
InChIKey NGBQCGSJRPUTQG-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iEHnMl2ArT
Name 4'-pentanoyl-[1,1'-biphenyl]-4-carbonitrile
Appearance Yellow orange solid
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Exact Mass 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-2-3-4-18(20)17-11-9-16(10-12-17)15-7-5-14(13-19)6-8-15/h5-12H,2-4H2,1H3
InChIKey NGBQCGSJRPUTQG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605139
Molecular Weight 263.340 g/mol
Quality 42
Reported Formula C18H17NO
SMILES C(CCCC)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C#N
SPLASH splash10-0ab9-0290000000-ede6aa0be9b03a20b4d6
Source of Spectrum QE-23-SM23-4l (DOI: 10.1002/chem.201605139)
Thin-Layer Chromatography 0.16 (SiO2, i-hexane/EtOAc, 19:1)
Wiley ID 1903810