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5-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXANE-5-YLIDENE)-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE

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5-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXANE-5-YLIDENE)-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
SpectraBase Compound ID 3h4wOcJQh61
InChI InChI=1S/C9H10N2O4S/c1-9(2)14-7(12)6(8(13)15-9)5-4-11(3)10-16-5/h4H,1-3H3
InChIKey GUADUTNBCQTOQF-UHFFFAOYSA-N
Mol Weight 242.25 g/mol
Molecular Formula C9H10N2O4S
Exact Mass 242.036128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqiRkN2IwCu
Name 5-(2,2-DIMETHYL-4,6-DIOXO-1,3-DIOXANE-5-YLIDENE)-3-METHYL-4,5-DIHYDRO-1,2,3-THIADIAZOL-3-IUM-4-IDE
Compound Number 10
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C9H10N2O4S/c1-9(2)14-7(12)6(8(13)15-9)5-4-11(3)10-16-5/h4H,1-3H3
InChIKey GUADUTNBCQTOQF-UHFFFAOYSA-N
Literature Reference G.LABBE,L.BASTIN,W.DEHAEN,S.TOPPET,P.DELBEKE,D.VLIEGHE,L.VANMEERVELT J.CHEM.SOC.PERKIN-1,2545(1994)
Solvent Dimethyl sulfoxide-d6