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4-Butoxy-4'-cyano-biphenyl
SpectraBase Compound ID BDlOCSgniVF
InChI InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChIKey KPQVQWUNELODQE-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mUVkz0d0HD
Name [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-
Alternate Name(s) 4'-Butoxy[1,1'-biphenyl]-4-carbonitrile 4'-Butoxy-4-biphenylcarbonitrile 4'-n-Butyloxy-4-cyanobiphenyl 4-(4-Butoxyphenyl)benzenecarbonitrile 4-(4-Butoxyphenyl)benzonitrile 4-Butoxycyanodiphenyl 4-Cyano-4'-butoxybiphenyl 4-Cyano-4'-n-butoxybiphenyl 4OCB BRN 2731691 EINECS 258-123-2
CAS Registry Number 52709-87-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO
InChI InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChIKey KPQVQWUNELODQE-UHFFFAOYSA-N
Molecular Weight 251.329 g/mol
SMILES C(c1ccc(cc1)-c1ccc(cc1)OCCCC)#N
SPLASH splash10-0002-0920000000-95bb7d61be926892b6a7
Source of Spectrum SB-31-817-0
Wiley ID 1254755