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2-Iodo-3-(4-tolyl-sulfonyl)-butyric acid, methyl ester
SpectraBase Compound ID AolL7CiLAqf
InChI InChI=1S/C12H15IO4S/c1-8-4-6-10(7-5-8)18(15,16)9(2)11(13)12(14)17-3/h4-7,9,11H,1-3H3
InChIKey JMVKBUJZLNJMAV-UHFFFAOYSA-N
Mol Weight 382.21 g/mol
Molecular Formula C12H15IO4S
Exact Mass 381.973575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gvc6xyJYnqA
Name 2-Iodo-3-(4-tolyl-sulfonyl)-butyric acid, methyl ester
CAS Registry Number 117659-21-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15IO4S
InChI InChI=1S/C12H15IO4S/c1-8-4-6-10(7-5-8)18(15,16)9(2)11(13)12(14)17-3/h4-7,9,11H,1-3H3
InChIKey JMVKBUJZLNJMAV-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference C. Najera, B. Baldo, M.Yus, J. Chem. Soc. Perkin I 1029 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3