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2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-4,4,6-trimethyl-1,3,2-dioxaborinane
SpectraBase Compound ID 9v0CUoEd2iH
InChI InChI=1S/C15H18BClO2S/c1-9-8-15(3,4)19-16(18-9)14-10(2)12-7-11(17)5-6-13(12)20-14/h5-7,9H,8H2,1-4H3
InChIKey KVDRCYIIKULKSX-UHFFFAOYSA-N
Mol Weight 308.6 g/mol
Molecular Formula C15H18BClO2S
Exact Mass 308.080909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASeylukbTqp
Name 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-4,4,6-trimethyl-1,3,2-dioxaborinane
Appearance Colorless oil
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Formula C15H18BClO2S
InChI InChI=1S/C15H18BClO2S/c1-9-8-15(3,4)19-16(18-9)14-10(2)12-7-11(17)5-6-13(12)20-14/h5-7,9H,8H2,1-4H3
InChIKey KVDRCYIIKULKSX-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.65
Molecular Weight 308.630 g/mol
Reported Formula C15H18BClO2S
SMILES c1(Cl)cc2c(sc(c2C)B2OC(CC(O2)(C)C)C)cc1
SPLASH splash10-0a4i-1195000000-4b819e86c4c3a686f4ee
Source of Spectrum BJO-12-SM22-10-Bmep
Thin-Layer Chromatography Rf = 0.23 (Hexane/EtOAc, 40:1)
Wiley ID 1851802