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DESULFO-2-METHYLSULFINYLETHYL-GLUCOSINOLATE
SpectraBase Compound ID 9dZ3tO5EtRh
InChI InChI=1S/C10H19NO7S2/c1-20(17)3-2-6(11-16)19-10-9(15)8(14)7(13)5(4-12)18-10/h5,7-10,12-16H,2-4H2,1H3/b11-6+/t5-,7-,8+,9-,10-,20?/m0/s1
InChIKey KLNGFSWVFBDQOP-XSWMKYOKSA-N
Mol Weight 329.38 g/mol
Molecular Formula C10H19NO7S2
Exact Mass 329.060294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jtqNmUz6hJ
Name DESULFO-2-METHYLSULFINYLETHYL-GLUCOSINOLATE
Compound Number D7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H18NO7S2
InChI InChI=1S/C10H19NO7S2/c1-20(17)3-2-6(11-16)19-10-9(15)8(14)7(13)5(4-12)18-10/h5,7-10,12-16H,2-4H2,1H3/b11-6+/t5-,7-,8+,9-,10-,20?/m0/s1
InChIKey KLNGFSWVFBDQOP-XSWMKYOKSA-N
Literature Reference Author M.REICHELT,P.D.BROWN,B.SCHNEIDER,N.J.OLDHAM,E.STAUBER,J.TOKU HISA,D.J.KLIEBENSTEI
Literature Reference Citation PHYTOCHEM.,59,663(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00014-6
Molecular Weight 328.375 g/mol
Solvent D2O
Source File Reference UWVN2773