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TERT.-BUTYL-8-OXO-5-THIA-2-OCTENOATE
SpectraBase Compound ID 5ePVXuSVFrl
InChI InChI=1S/C11H18O3S/c1-11(2,3)14-10(13)6-4-8-15-9-5-7-12/h4,6-7H,5,8-9H2,1-3H3/b6-4+
InChIKey YHUVKYUBQBPAOA-GQCTYLIASA-N
Mol Weight 230.32 g/mol
Molecular Formula C11H18O3S
Exact Mass 230.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4W7tUbQCysE
Name TERT.-BUTYL-8-OXO-5-THIA-2-OCTENOATE
CAS Registry Number 127355-04-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18O3S
InChI InChI=1S/C11H18O3S/c1-11(2,3)14-10(13)6-4-8-15-9-5-7-12/h4,6-7H,5,8-9H2,1-3H3/b6-4+
InChIKey YHUVKYUBQBPAOA-GQCTYLIASA-N
Literature Reference Author H.G.AURICH,M.BOUTAHAR,H.KOESTER,K.D.MOEBUS,L.RUIZ
Literature Reference Citation CHEM.BER.,123,1999(1990)
Literature Reference DOI 10.1002/cber.19901231011
Molecular Weight 230.322 g/mol
Solvent CDCl3
Source File Reference UWED10302