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[(1Z)-1-(benzenesulfonylmethylene)hept-2-ynyl]benzene
SpectraBase Compound ID h7COEwFrBl
InChI InChI=1S/C20H20O2S/c1-2-3-4-7-14-19(18-12-8-5-9-13-18)17-23(21,22)20-15-10-6-11-16-20/h5-6,8-13,15-17H,2-4H2,1H3/b19-17+
InChIKey ZBBWYFZCOIOMPJ-HTXNQAPBSA-N
Mol Weight 324.44 g/mol
Molecular Formula C20H20O2S
Exact Mass 324.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xwkfZ2EXZR
Name [(1Z)-1-(benzenesulfonylmethylene)hept-2-ynyl]benzene
Alternate Name(s) [(1Z)-1-(besylmethylene)hept-2-ynyl]benzene [(Z)-1-(benzenesulfonyl)oct-1-en-3-yn-2-yl]benzene [(Z)-1-(phenylsulfonyl)oct-1-en-3-yn-2-yl]benzene
Comments Less than 3 mono-isotopic peaks
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Formula C20H20O2S
InChI InChI=1S/C20H20O2S/c1-2-3-4-7-14-19(18-12-8-5-9-13-18)17-23(21,22)20-15-10-6-11-16-20/h5-6,8-13,15-17H,2-4H2,1H3/b19-17+
InChIKey ZBBWYFZCOIOMPJ-HTXNQAPBSA-N
Molecular Weight 324.438 g/mol
SMILES C(\C(=C/S(=O)(=O)c1ccccc1)c1ccccc1)#CCCCC
SPLASH splash10-014i-0902000000-9a3b3f049066739b6a6a
Source of Spectrum F-68-1962-10
Wiley ID 1571928