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2-(METHYLSULFINYL)-1-(1-ISOQUINOLYL)-ETHANOL
SpectraBase Compound ID 48LpqWiK0MC
InChI InChI=1S/C12H13NO2S/c1-16(15)8-11(14)12-10-5-3-2-4-9(10)6-7-13-12/h2-7,11,14H,8H2,1H3/t11-,16?/m1/s1
InChIKey GRHHKHMMYKLTES-ZVDHGWRTSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lDfYXl3h56
Name 2-(METHYLSULFINYL)-1-(1-ISOQUINOLYL)-ETHANOL
Compound Number 3B-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-16(15)8-11(14)12-10-5-3-2-4-9(10)6-7-13-12/h2-7,11,14H,8H2,1H3/t11-,16?/m1/s1
InChIKey GRHHKHMMYKLTES-ZVDHGWRTSA-N
Literature Reference Author C.ALVAREZ-IBARRA,R.CUERVO-RODRIGUEZ,M.C.FERNANDEZ-MONREAL,M. P.RUIZ
Literature Reference Citation J.ORG.CHEM.,59,7284(1994)
Literature Reference DOI 10.1021/jo00103a019
Molecular Weight 235.301 g/mol
Solvent CDCl3
Source File Reference UWCP7509