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TICHOCARPOL-B;3-(3',4'-DIHYDROXYPHENYL)-2-SULFOOXYPROPANOIC-ACID
SpectraBase Compound ID AVamGIUQVr8
InChI InChI=1S/C9H10O8S/c10-6-2-1-5(3-7(6)11)4-8(9(12)13)17-18(14,15)16/h1-3,8,10-11H,4H2,(H,12,13)(H,14,15,16)/t8-/m0/s1
InChIKey NVEAHDYLAANZEW-QMMMGPOBSA-N
Mol Weight 278.23 g/mol
Molecular Formula C9H10O8S
Exact Mass 278.009638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWsN5OMsAub
Name TICHOCARPOL-B;3-(3',4'-DIHYDROXYPHENYL)-2-SULFOOXYPROPANOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O8S
InChI InChI=1S/C9H10O8S/c10-6-2-1-5(3-7(6)11)4-8(9(12)13)17-18(14,15)16/h1-3,8,10-11H,4H2,(H,12,13)(H,14,15,16)/t8-/m0/s1
InChIKey NVEAHDYLAANZEW-QMMMGPOBSA-N
Literature Reference Author T.ISHII,T.OKINO,M.SUZUKI,Y.MACHIGUCHI
Literature Reference Citation J.NAT.PROD.,67,1764(2004)
Literature Reference DOI 10.1021/np0498509
Molecular Weight 278.234 g/mol
Solvent D2O
Source File Reference UWMZ6636