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(2Z)-2-(4-methylbenzylidene)-1-benzothiophen-3(2H)-one
SpectraBase Compound ID 3MT3ycTHXjn
InChI InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)10-15-16(17)13-4-2-3-5-14(13)18-15/h2-10H,1H3/b15-10-
InChIKey AQCHDONPPMMUFP-GDNBJRDFSA-N
Mol Weight 252.33 g/mol
Molecular Formula C16H12OS
Exact Mass 252.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIzkiIjj2f2
Name (2Z)-2-(4-methylbenzylidene)-1-benzothiophen-3(2H)-one
Alternate Name(s) (2Z)-2-(4-methylbenzylidene)benzothiophen-3-one (2Z)-2-(p-tolylmethylene)benzothiophen-3-one (2Z)-2-[(4-methylphenyl)methylidene]-1-benzothiophen-3-one
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Formula C16H12OS
InChI InChI=1S/C16H12OS/c1-11-6-8-12(9-7-11)10-15-16(17)13-4-2-3-5-14(13)18-15/h2-10H,1H3/b15-10-
InChIKey AQCHDONPPMMUFP-GDNBJRDFSA-N
Molecular Weight 252.331 g/mol
SMILES c12S\C(C(c1cccc2)=O)=C\c1ccc(cc1)C
SPLASH splash10-0udr-0190000000-11e1c741a492dcfed600
Source of Spectrum C5-2002-876-2
Wiley ID 1614574