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6-OXO-2,5,5-TRIMETHYL-3-THIA-2-HEPTANOATE
SpectraBase Compound ID 1zLU0OMjO55
InChI InChI=1S/C9H16O3S/c1-7(10)9(2,3)6-13-5-8(11)12-4/h5-6H2,1-4H3
InChIKey OTLIFCPMIDVVOF-UHFFFAOYSA-N
Mol Weight 204.28 g/mol
Molecular Formula C9H16O3S
Exact Mass 204.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNxIJjol9pu
Name 6-OXO-2,5,5-TRIMETHYL-3-THIA-2-HEPTANOATE
Compound Number 7 F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3S
InChI InChI=1S/C9H16O3S/c1-7(10)9(2,3)6-13-5-8(11)12-4/h5-6H2,1-4H3
InChIKey OTLIFCPMIDVVOF-UHFFFAOYSA-N
Literature Reference Author M.J.BOURGEOIS,M.VIALEMARINGE,M.CAMPAGNOLE,E.MONTAUDON
Literature Reference Citation CAN.J.CHEM.,79,257(2001)
Literature Reference DOI 10.1139/cjc-79-3-257
Molecular Weight 204.284 g/mol
Solvent CDCl3
Source File Reference UWSI16051