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DESULFO-4-BENZOYLOXYBUTYL-GLUCOSINOLATE

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DESULFO-4-BENZOYLOXYBUTYL-GLUCOSINOLATE
SpectraBase Compound ID AvwnaFk0M9q
InChI InChI=1S/C18H25NO8S/c20-10-12-14(21)15(22)16(23)18(27-12)28-13(19-25)8-4-5-9-26-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23,25H,4-5,8-10H2/b19-13+/t12-,14-,15+,16-,18-/m0/s1
InChIKey VNUCJYWYKXPDFA-XIBMNVAXSA-N
Mol Weight 415.46 g/mol
Molecular Formula C18H25NO8S
Exact Mass 415.130088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Exhu9t17pF
Name DESULFO-4-BENZOYLOXYBUTYL-GLUCOSINOLATE
Compound Number D1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24NO8S
InChI InChI=1S/C18H25NO8S/c20-10-12-14(21)15(22)16(23)18(27-12)28-13(19-25)8-4-5-9-26-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23,25H,4-5,8-10H2/b19-13+/t12-,14-,15+,16-,18-/m0/s1
InChIKey VNUCJYWYKXPDFA-XIBMNVAXSA-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 414.450 g/mol
Solvent DMSO-D6
Source File Reference UWVN2770