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4-Benzo[b]thiophen-2-yl-benzoic acid ethyl ester
SpectraBase Compound ID LXGfWLBsAuh
InChI InChI=1S/C17H14O2S/c1-2-19-17(18)13-9-7-12(8-10-13)16-11-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3
InChIKey KSWGEWBMEQPVII-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C17H14O2S
Exact Mass 282.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZUHXdT5oKi
Name 4-Benzo[b]thiophen-2-yl-benzoic acid ethyl ester
Alternate Name(s) Ethyl 4-(benzo[b]thiophen-2-yl)benzoate 4-(1-benzothiophen-2-yl)benzoic acid ethyl ester Ethyl 4-(benzothiophen-2-yl)benzoate Ethyl 4-(1-benzothiophen-2-yl)benzoate
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Formula C17H14O2S
InChI InChI=1S/C17H14O2S/c1-2-19-17(18)13-9-7-12(8-10-13)16-11-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3
InChIKey KSWGEWBMEQPVII-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 282.357 g/mol
SMILES c1cc2c(cc1)sc(-c1ccc(cc1)C(OCC)=O)c2
SPLASH splash10-0f8i-0190000000-60009846293f3b446045
Source of Spectrum A1-10-4705/SM13-6c
Wiley ID 1760028