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(2-sulfanylidenepyridin-1-yl) 1-methylbicyclo[1.1.1]pentane-3-carboxylate
SpectraBase Compound ID 1aMPkAgfmQP
InChI InChI=1S/C12H13NO2S/c1-11-6-12(7-11,8-11)10(14)15-13-5-3-2-4-9(13)16/h2-5H,6-8H2,1H3
InChIKey XNTLALDEURYIDL-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbjL2GS5CcO
Name (2-sulfanylidenepyridin-1-yl) 1-methylbicyclo[1.1.1]pentane-3-carboxylate
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Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-11-6-12(7-11,8-11)10(14)15-13-5-3-2-4-9(13)16/h2-5H,6-8H2,1H3
InChIKey XNTLALDEURYIDL-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C12(C(ON3C(=S)C=CC=C3)=O)CC(C1)(C)C2
SPLASH splash10-0hl0-9800000000-0b3daa9dbd688755b637
Source of Spectrum J-59-2993-47
Synonyms (2-thioxo-1-pyridyl) 1-methylbicyclo[1.1.1]pentane-3-carboxylate 1-Methyl-3-bicyclo[1.1.1]pentanecarboxylic acid (2-sulfanylidene-1-pyridinyl) ester 1-Methylbicyclo[1.1.1]pentane-3-carboxylic acid (2-thioxo-1-pyridyl) ester
Wiley ID 1236986