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1-(2-PYRIDYL)-2-(METHYLSULFINYL)-ETHANOL;ISOMER-#2
SpectraBase Compound ID DVl3MWjAwT6
InChI InChI=1S/C8H11NO2S/c1-12(11)6-8(10)7-4-2-3-5-9-7/h2-5,8,10H,6H2,1H3/t8-,12?/m0/s1
InChIKey MCCRMTUNBUGFJC-KBPLZSHQSA-N
Mol Weight 185.24 g/mol
Molecular Formula C8H11NO2S
Exact Mass 185.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEodipwuGLh
Name 1-(2-PYRIDYL)-2-(METHYLSULFINYL)-ETHANOL;ISOMER-#2
CAS Registry Number 124733-63-7
Compound Number 8-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11NO2S
InChI InChI=1S/C8H11NO2S/c1-12(11)6-8(10)7-4-2-3-5-9-7/h2-5,8,10H,6H2,1H3/t8-,12?/m0/s1
InChIKey MCCRMTUNBUGFJC-KBPLZSHQSA-N
Literature Reference Author M.C.CARRENO,J.L.G.RUANO,A.M.MARTIN,C.PEDREGAL,J.H.RODRIGUEZ, A.RUBIO,J.SANCHEZ,G.
Literature Reference Citation J.ORG.CHEM.,55,2120(1990)
Literature Reference DOI 10.1021/jo00294a027
Molecular Weight 185.241 g/mol
Solvent DMSO-D6
Source File Reference UWCS11461