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Dimethyl (2-phenylsulfonyl-but-3-en-1-yl)-malonate

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Dimethyl (2-phenylsulfonyl-but-3-en-1-yl)-malonate
SpectraBase Compound ID GJpAI3zkDCb
InChI InChI=1S/C15H18O6S/c1-4-11(10-13(14(16)20-2)15(17)21-3)22(18,19)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3
InChIKey AOCPEAPIHKSTBU-UHFFFAOYSA-N
Mol Weight 326.36 g/mol
Molecular Formula C15H18O6S
Exact Mass 326.082409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47HFVFntgRr
Name Dimethyl (2-phenylsulfonyl-but-3-en-1-yl)-malonate
CAS Registry Number 109802-78-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H18O6S
InChI InChI=1S/C15H18O6S/c1-4-11(10-13(14(16)20-2)15(17)21-3)22(18,19)12-8-6-5-7-9-12/h4-9,11,13H,1,10H2,2-3H3
InChIKey AOCPEAPIHKSTBU-UHFFFAOYSA-N
Literature Reference J.E. Baeckvall, S.K. Juntunen, J. Am. Chem. Soc. 109, 6396 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported