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4-METHOXYCARBONYL-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC_ACID_1,1-DIOXIDE
SpectraBase Compound ID 68BUviVpn7X
InChI InChI=1S/C12H16O6S/c1-7-3-5-12(10(13)14,11(15)18-2)8-4-6-19(16,17)9(7)8/h8H,3-6H2,1-2H3,(H,13,14)/t8-,12-/m0/s1
InChIKey NVFHKFQIGYEFCG-UFBFGSQYSA-N
Mol Weight 288.31 g/mol
Molecular Formula C12H16O6S
Exact Mass 288.066759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZWsSY7DKp0
Name 4-METHOXYCARBONYL-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC_ACID_1,1-DIOXIDE
Compound Number XXIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O6S
InChI InChI=1S/C12H16O6S/c1-7-3-5-12(10(13)14,11(15)18-2)8-4-6-19(16,17)9(7)8/h8H,3-6H2,1-2H3,(H,13,14)/t8-,12-/m0/s1
InChIKey NVFHKFQIGYEFCG-UFBFGSQYSA-N
Literature Reference Author G.N.ANDREEV,E.E.SHULTS,A.A.VOLKOV,M.M.SHAKIROV,I.Y.BAGRYANSK AYA,Y.V.GATILOV,G.A.
Literature Reference Citation RUSS.J.ORG.CHEM.,40,854(2004)
Literature Reference DOI 10.1023/B:RUJO.0000044549.81561.4f
Molecular Weight 288.315 g/mol
Solvent CDCl3
Source File Reference UWMZ16631