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5-[(Z)-2',2'-DIMETHYL-PROPYLIDENE]-2-(1''-METHYL-1''-NITRO-ETHYL)-3-NITRO-2,5-DIHYDROTHIOPHEN
SpectraBase Compound ID 9BHwuHZAPIh
InChI InChI=1S/C12H18N2O4S/c1-11(2,3)7-8-6-9(13(15)16)10(19-8)12(4,5)14(17)18/h6-7,10H,1-5H3/b8-7+
InChIKey MQIWULFUXKOCJE-BQYQJAHWSA-N
Mol Weight 286.35 g/mol
Molecular Formula C12H18N2O4S
Exact Mass 286.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmAGlGJ7iXR
Name 5-[(Z)-2',2'-DIMETHYL-PROPYLIDENE]-2-(1''-METHYL-1''-NITRO-ETHYL)-3-NITRO-2,5-DIHYDROTHIOPHEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N2O4S
InChI InChI=1S/C12H18N2O4S/c1-11(2,3)7-8-6-9(13(15)16)10(19-8)12(4,5)14(17)18/h6-7,10H,1-5H3/b8-7+
InChIKey MQIWULFUXKOCJE-BQYQJAHWSA-N
Literature Reference Author P.J.NEWCOMBE,R.K.NORRIS
Literature Reference Citation AUSTR.J.CHEM.,35,973(1982)
Literature Reference DOI 10.1071/ch9820973
Molecular Weight 286.346 g/mol
Solvent DMSO-D6
Source File Reference UWWR983