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2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SpectraBase Compound ID 306JZ9xZpdi
InChI InChI=1S/C14H16BClO2S/c1-9-11-6-10(16)4-5-12(11)19-13(9)15-17-7-14(2,3)8-18-15/h4-6H,7-8H2,1-3H3
InChIKey XDKZCLJYHWXRQR-UHFFFAOYSA-N
Mol Weight 294.6 g/mol
Molecular Formula C14H16BClO2S
Exact Mass 294.065259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIGaykYNm3v
Name 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
Appearance White solid
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Formula C14H16BClO2S
InChI InChI=1S/C14H16BClO2S/c1-9-11-6-10(16)4-5-12(11)19-13(9)15-17-7-14(2,3)8-18-15/h4-6H,7-8H2,1-3H3
InChIKey XDKZCLJYHWXRQR-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.65
Molecular Weight 294.603 g/mol
Reported Formula C14H16BClO2S
SMILES c1(Cl)cc2c(sc(c2C)B2OCC(CO2)(C)C)cc1
SPLASH splash10-052g-0090000000-830b01b88a409b4bec50
Source of Spectrum BJO-12-SM21-10-Bnep
Thin-Layer Chromatography Rf = 0.085 (Hexane/EtOAc, 40:1)
Wiley ID 1851803