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(1Z)-2-(3',4'-DIHYDROXYPHENYL)-ETHYLENESULFATE
SpectraBase Compound ID J2sT97nfbjM
InChI InChI=1S/C8H8O6S.Na/c9-7-2-1-6(5-8(7)10)3-4-14-15(11,12)13;/h1-5,9-10H,(H,11,12,13);/q;+1/p-1/b4-3-;
InChIKey OCTNLVNADAQXIK-LNKPDPKZSA-M
Mol Weight 254.19 g/mol
Molecular Formula C8H7NaO6S
Exact Mass 253.986103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRbBh0ffnWV
Name (1Z)-2-(3',4'-DIHYDROXYPHENYL)-ETHYLENESULFATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NaO6S
InChI InChI=1S/C8H8O6S.Na/c9-7-2-1-6(5-8(7)10)3-4-14-15(11,12)13;/h1-5,9-10H,(H,11,12,13);/q;+1/p-1/b4-3-;
InChIKey OCTNLVNADAQXIK-LNKPDPKZSA-M
Literature Reference Author C.M.CERDA-GARCIA-ROJAS,M.K.HARPER,D.J.FAULKNER
Literature Reference Citation J.NAT.PROD.,57,1758(1994)
Literature Reference DOI 10.1021/np50114a026
Molecular Weight 254.190 g/mol
Solvent CD3OD
Source File Reference UWVP15