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5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- thiophene-3-carbonitrile
SpectraBase Compound ID 81LEwzFdWQE
InChI InChI=1S/C12H16BNO2S/c1-8-6-9(7-14)10(17-8)13-15-11(2,3)12(4,5)16-13/h6H,1-5H3
InChIKey PMHXSWFTQLNNPB-UHFFFAOYSA-N
Mol Weight 249.1 g/mol
Molecular Formula C12H16BNO2S
Exact Mass 249.09948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDpUoUq4LPB
Name 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- thiophene-3-carbonitrile
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Formula C12H16BNO2S
InChI InChI=1S/C12H16BNO2S/c1-8-6-9(7-14)10(17-8)13-15-11(2,3)12(4,5)16-13/h6H,1-5H3
InChIKey PMHXSWFTQLNNPB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3018878
Molecular Weight 249.135 g/mol
SMILES C1(C)(C)OB(OC1(C)C)c1sc(cc1C#N)C
SPLASH splash10-0zfv-1980000000-5e44cedbef17db4201dd
Source of Spectrum J-78-1930-5de
Synonyms 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophenecarbonitrile
Wiley ID 1745342