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7-METHYL-5-PHENYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOHYDRAZIDE_1,1-DIOXIDE
SpectraBase Compound ID AvA33IXQ907
InChI InChI=1S/C16H20N2O3S/c1-10-9-13(11-5-3-2-4-6-11)14(16(19)18-17)12-7-8-22(20,21)15(10)12/h2-6,12-14H,7-9,17H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKey NVGFYLXCUZJYKD-MGPQQGTHSA-N
Mol Weight 320.41 g/mol
Molecular Formula C16H20N2O3S
Exact Mass 320.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6wI8MS0tnk
Name 7-METHYL-5-PHENYL-2,3,3A,4,5,6-HEXAHYDRO-1-BENZOTHIOPHENE-4-CARBOHYDRAZIDE_1,1-DIOXIDE
Compound Number XXXII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O3S
InChI InChI=1S/C16H20N2O3S/c1-10-9-13(11-5-3-2-4-6-11)14(16(19)18-17)12-7-8-22(20,21)15(10)12/h2-6,12-14H,7-9,17H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKey NVGFYLXCUZJYKD-MGPQQGTHSA-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 320.406 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16635