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2-(3-besylprop-1-ynyl)benzonitrile
SpectraBase Compound ID CMNOUIC1pWM
InChI InChI=1S/C16H11NO2S/c17-13-15-8-5-4-7-14(15)9-6-12-20(18,19)16-10-2-1-3-11-16/h1-5,7-8,10-11H,12H2
InChIKey BKPHMGAXEMPFAH-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C16H11NO2S
Exact Mass 281.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUUOsvVh4r1
Name 2-(3-besylprop-1-ynyl)benzonitrile
Alternate Name(s) 2-[3-(benzenesulfonyl)prop-1-ynyl]benzonitrile 2-[3-(phenylsulfonyl)prop-1-ynyl]benzenecarbonitrile
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Formula C16H11NO2S
InChI InChI=1S/C16H11NO2S/c17-13-15-8-5-4-7-14(15)9-6-12-20(18,19)16-10-2-1-3-11-16/h1-5,7-8,10-11H,12H2
InChIKey BKPHMGAXEMPFAH-UHFFFAOYSA-N
Molecular Weight 281.329 g/mol
SMILES c1(S(=O)(=O)CC#Cc2c(C#N)cccc2)ccccc1
SPLASH splash10-0006-0910000000-996bde6a450a97abd06b
Source of Spectrum KC-0-2876-3
Wiley ID 829254