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3-(Toluene-4-sulfonyloxy)butyric acid, methyl ester
SpectraBase Compound ID 5HIfDy0P5wc
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Mol Weight 272.31 g/mol
Molecular Formula C12H16O5S
Exact Mass 272.071845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1G3N1CKJ3hf
Name 3(R)-(4-Toluene-sulfonyl)-butyric acid, methyl ester
CAS Registry Number 91366-12-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O5S
InChI InChI=1S/C12H16O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-7,10H,8H2,1-3H3
InChIKey ZPNXTLBKSJMKNG-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference H.W. Liu, R. Auchus, C.T.Walsh, J. Am. Chem. Soc. 106, 5335 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3