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1,7-EQU-DIMETHYL-2,8-DIOXA-6,6'-DIOXO-6-THIABICYCLO-[3.2.1]-OCTANE
SpectraBase Compound ID KuR5o4SqNqi
InChI InChI=1S/C7H12O4S/c1-5-7(2)10-3-6(11-7)4-12(5,8)9/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey SXXJICSEDQQYCN-BYRXKDITSA-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 CC8bNPGQU2w
Name 1,7-EQU-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/c1-5-7(2)10-3-6(11-7)4-12(5,8)9/h5-6H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKey SXXJICSEDQQYCN-BYRXKDITSA-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 UWED637