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2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
SpectraBase Compound ID 2irq0mQoHKH
InChI InChI=1S/C19H14BClN2S/c1-11-14-10-13(21)8-9-17(14)24-19(11)20-22-15-6-2-4-12-5-3-7-16(23-20)18(12)15/h2-10,22-23H,1H3
InChIKey KLKONWBAPNOWEK-UHFFFAOYSA-N
Mol Weight 348.7 g/mol
Molecular Formula C19H14BClN2S
Exact Mass 348.065928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZdSq2683RW
Name 2-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
Appearance White solid
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Formula C19H14BClN2S
InChI InChI=1S/C19H14BClN2S/c1-11-14-10-13(21)8-9-17(14)24-19(11)20-22-15-6-2-4-12-5-3-7-16(23-20)18(12)15/h2-10,22-23H,1H3
InChIKey KLKONWBAPNOWEK-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.65
Molecular Weight 348.658 g/mol
Reported Formula C19H14BClN2S
SMILES N1c2c3c(cccc3ccc2)NB1c1sc2c(cc(Cl)cc2)c1C
SPLASH splash10-0002-0309000000-e8f14f5e2d73e0b84362
Source of Spectrum BJO-12-SM23-10-Bdan
Thin-Layer Chromatography Rf = 0.29 (Hexane/EtOAc, 20:1)
Wiley ID 1851801