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1,4-DIMETHYL-2,8-DIOXA-6-EQU-OXO-6-THIABICYCLO-[3.2.1]-OCTANE
SpectraBase Compound ID GGYJrz6z0P1
InChI InChI=1S/C7H12O3S/c1-6-3-9-7(2,10-6)5-11(8)4-6/h3-5H2,1-2H3/t6-,7-,11?/m1/s1
InChIKey JFQISSIVXJVCHV-CZGZLPJCSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aCVkyqTpBp
Name 1,4-DIMETHYL-2,8-DIOXA-6-AX-OXO-6-THIABICYCLO-[3.2.1]-OCTANE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-6-3-9-7(2,10-6)5-11(8)4-6/h3-5H2,1-2H3/t6-,7-,11?/m1/s1
InChIKey JFQISSIVXJVCHV-CZGZLPJCSA-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 176.230 g/mol
Solvent CDCl3
Source File Reference UWED635