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3-Acetoxy-4-(3-phenylsulfonyl-3-methoxycarboxy-propyl)-cyclohexene
SpectraBase Compound ID DMx6NNdkhqU
InChI InChI=1S/C19H24O6S/c1-14(20)25-17-11-7-6-8-15(17)12-13-18(19(21)24-2)26(22,23)16-9-4-3-5-10-16/h3-5,7,9-11,15,17-18H,6,8,12-13H2,1-2H3
InChIKey ZJTHWMHIXVFXGH-UHFFFAOYSA-N
Mol Weight 380.46 g/mol
Molecular Formula C19H24O6S
Exact Mass 380.12936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZkBT2I8XY1
Name 3-Acetoxy-4-(3-phenylsulfonyl-3-methoxycarboxy-propyl)-cyclohexene
CAS Registry Number 63294-62-2
Comments MIXTURE OF DIASTEREOMERS ? REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H24O6S
InChI InChI=1S/C19H24O6S/c1-14(20)25-17-11-7-6-8-15(17)12-13-18(19(21)24-2)26(22,23)16-9-4-3-5-10-16/h3-5,7,9-11,15,17-18H,6,8,12-13H2,1-2H3
InChIKey ZJTHWMHIXVFXGH-UHFFFAOYSA-N
Literature Reference B.M. Trost, T.R. Verhoeven, J. Am. Chem. Soc. 99, 3867 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported