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1,2-DIHYDROXY-5-(METHYLSULFINYL)-PENTAN-3-ONE
SpectraBase Compound ID GSVjxWyh5iu
InChI InChI=1S/C6H12O4S/c1-11(10)3-2-5(8)6(9)4-7/h6-7,9H,2-4H2,1H3
InChIKey GIHRQRYALUDHHQ-UHFFFAOYSA-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 5Rgh2HlkWq6
Name 1,2-DIHYDROXY-5-(METHYLSULFINYL)-PENTAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12O4S
InChI InChI=1S/C6H12O4S/c1-11(10)3-2-5(8)6(9)4-7/h6-7,9H,2-4H2,1H3
InChIKey GIHRQRYALUDHHQ-UHFFFAOYSA-N
Literature Reference Author A.ISOGAI,R.KANDA,Y.HIRAGA,T.NISHIMURA,H.IWATA,N.GOTO-YAMAMOT O
Literature Reference Citation J.AGR.FOOD.CHEM.,57,189(2009)
Literature Reference DOI 10.1021/jf802582p
Molecular Weight 180.219 g/mol
Sample ID 67905
Solvent CD3CN:D2O=1:1