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UPTZPTPJVCHHLO-ZCFIWIBFSA-N
SpectraBase Compound ID L4WjKaw2NcN
InChI InChI=1S/C6H12O4S/c1-2-3-4-6-5-9-11(7,8)10-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey UPTZPTPJVCHHLO-ZCFIWIBFSA-N
Mol Weight 180.22 g/mol
Molecular Formula C6H12O4S
Exact Mass 180.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jhGP6TmVBY
Name UPTZPTPJVCHHLO-ZCFIWIBFSA-N
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O4S
InChI InChI=1S/C6H12O4S/c1-2-3-4-6-5-9-11(7,8)10-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey UPTZPTPJVCHHLO-ZCFIWIBFSA-N
Literature Reference Author G.C.PADDON-JNES,C.S.P.MCERLEAN,P.HAYES,C.J.MOORE,W.A.KONIG,W .KITCHING
Literature Reference Citation J.ORG.CHEM.,66,7487(2001)
Literature Reference DOI 10.1021/jo0159237
Molecular Weight 180.219 g/mol
Solvent CDCl3
Source File Reference UWLU29035