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N-(6-HYDROXY-2-METHYLPYRIMIDIN-4-YL)-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
SpectraBase Compound ID 2TcRXLrAMal
InChI InChI=1S/C16H20N2O4S/c1-9-3-4-13(12-5-6-23(21,22)15(9)12)16(20)18-11-7-10(2)17-14(19)8-11/h7-8,12-13H,3-6H2,1-2H3,(H2,17,18,19,20)/t12-,13+/m1/s1
InChIKey JWZZOQQKYFCPBB-OLZOCXBDSA-N
Mol Weight 336.41 g/mol
Molecular Formula C16H20N2O4S
Exact Mass 336.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9W8vvLLEBt6
Name N-(6-HYDROXY-2-METHYLPYRIMIDIN-4-YL)-7-METHYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOXAMIDE_1,1-DIOXIDE
Compound Number XXVII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O4S
InChI InChI=1S/C16H20N2O4S/c1-9-3-4-13(12-5-6-23(21,22)15(9)12)16(20)18-11-7-10(2)17-14(19)8-11/h7-8,12-13H,3-6H2,1-2H3,(H2,17,18,19,20)/t12-,13+/m1/s1
InChIKey JWZZOQQKYFCPBB-OLZOCXBDSA-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 336.406 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16636