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3-CARBOMETHOXY-4,5,5-TRIMETHYL-2-PROPYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE

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3-CARBOMETHOXY-4,5,5-TRIMETHYL-2-PROPYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE
SpectraBase Compound ID H6YaB1Svinm
InChI InChI=1S/C12H20O4S/c1-6-7-9-10(11(13)16-5)8(2)12(3,4)17(9,14)15/h9H,6-7H2,1-5H3
InChIKey BBXCVLLXAKLACD-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C12H20O4S
Exact Mass 260.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7ctOgM5XY6
Name 2,2,3-Trimethyl-5-propyl-2,5-dihydro-thiophene-1,1-dioxide-3-carboxylic acid, methyl ester
CAS Registry Number 69858-75-9
Comments BRUKER CXP-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O4S
InChI InChI=1S/C12H20O4S/c1-6-7-9-10(11(13)16-5)8(2)12(3,4)17(9,14)15/h9H,6-7H2,1-5H3
InChIKey BBXCVLLXAKLACD-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J. Mc Intosh, Can. J. Chem. 57, 131 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3