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t-Butyl (R)-(+)-2-(p-Tolylsulfinyl)acetate
SpectraBase Compound ID DThwwjjEN4D
InChI InChI=1S/C13H18O3S/c1-10-5-7-11(8-6-10)17(15)9-12(14)16-13(2,3)4/h5-8H,9H2,1-4H3
InChIKey ATKQQTNXMNHRCW-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FOUubORRLy
Name 2-(4-Toluenesulfinyl)-acetic acid, tert-butyl ester
CAS Registry Number 94404-20-3
Comments C8 AND C9 C-13 LABELLED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-10-5-7-11(8-6-10)17(15)9-12(14)16-13(2,3)4/h5-8H,9H2,1-4H3
InChIKey ATKQQTNXMNHRCW-UHFFFAOYSA-N
Instrument Name Cameca
Literature Reference A.S. Cavallo, C. Mioskowski, Org. Magn. Resonance 16, 273 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent THF