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4-METHYL-1,5-DIOXA-2-THIA-3-AZA-CYCLOHEPTANE-2,2-DIOXIDE+5H-[1,2,3]-OXATHIAZOLINE-2,2-DIOXIDE;MIXTURE
SpectraBase Compound ID DwyOCx1YWIi
InChI InChI=1S/C4H9NO4S.C2H3NO3S/c1-4-5-10(6,7)9-3-2-8-4;4-7(5)3-1-2-6-7/h4-5H,2-3H2,1H3;1H,2H2
InChIKey JTJDCOHVURJYRM-UHFFFAOYSA-N
Mol Weight 288.29 g/mol
Molecular Formula C6H12N2O7S2
Exact Mass 288.008593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fEMGbKg9lH
Name 4-METHYL-1,5-DIOXA-2-THIA-3-AZA-CYCLOHEPTANE-2,2-DIOXIDE+5H-[1,2,3]-OXATHIAZOLINE-2,2-DIOXIDE;MIXTURE
Compound Number 25 +26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12N2O7S2
InChI InChI=1S/C4H9NO4S.C2H3NO3S/c1-4-5-10(6,7)9-3-2-8-4;4-7(5)3-1-2-6-7/h4-5H,2-3H2,1H3;1H,2H2
InChIKey JTJDCOHVURJYRM-UHFFFAOYSA-N
Literature Reference Author S.TOUMIEUX,P.COMPAIN,O.R.MARTIN,M.SELKTI
Literature Reference Citation ORG.LETTERS,8,4493(2006)
Literature Reference DOI 10.1021/ol061649x
Molecular Weight 288.290 g/mol
Sample ID 61612
Solvent ACETONE-D6