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1,4-DIMETHYL-2,8-DIOXA-6,6'-DIOXO-6-THIABICYCLO-[3.2.1]-OCTANE
SpectraBase Compound ID 429PxyxAKg
InChI InChI=1S/C7H12O4S/c1-6-3-10-7(2,11-6)5-12(8,9)4-6/h3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey ITJKMFOBPVUZPX-BQBZGAKWSA-N
Mol Weight 192.23 g/mol
Molecular Formula C7H12O4S
Exact Mass 192.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPRobUrRF0P
Name 1,4-DIMETHYL-2,8-DIOXA-6,6'-DIOXO-6-THIABICYCLO-[3.2.1]-OCTANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O4S
InChI InChI=1S/C7H12O4S/c1-6-3-10-7(2,11-6)5-12(8,9)4-6/h3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey ITJKMFOBPVUZPX-BQBZGAKWSA-N
Literature Reference Author P.CALINAUD,J.GELAS
Literature Reference Citation CAN.J.CHEM.,61,2095(1983)
Literature Reference DOI 10.1139/v83-364
Molecular Weight 192.230 g/mol
Solvent CDCl3
Source File Reference UWED639