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Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(2-pyridinylthio)-, methyl ester
SpectraBase Compound ID FLYxhxornjt
InChI InChI=1S/C12H13NO2S/c1-15-10(14)11-6-12(7-11,8-11)16-9-4-2-3-5-13-9/h2-5H,6-8H2,1H3
InChIKey GZRGFEPZUYNTSP-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 BdazyT3KtSD
Name Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(2-pyridinylthio)-, methyl ester
CAS Registry Number 131515-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-15-10(14)11-6-12(7-11,8-11)16-9-4-2-3-5-13-9/h2-5H,6-8H2,1H3
InChIKey GZRGFEPZUYNTSP-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C12(C(=O)OC)CC(C2)(Sc2ncccc2)C1
SPLASH splash10-0v00-9220000000-a65ade8b2e244e382a3f
Source of Spectrum J-56-315-30
Synonyms Methyl 3-(2-pyridinylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylate Methyl 3-(2-pyridylthio)bicyclo[1.1.1]pentane-1-carboxylate
Wiley ID 1236984