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(2R)-3-(3',4'-dihydroxyphenyl)-2-sulfooxypropanoic acid
SpectraBase Compound ID 3AX1GBxiYmo
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-/m1/s1
InChIKey NVEAHDYLAANZEW-MRVPVSSYSA-N
Mol Weight 278.23 g/mol
Molecular Formula C9H10O8S
Exact Mass 278.009638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvkrWMfQ9h
Name (2R)-3-(3',4'-dihydroxyphenyl)-2-sulfooxypropanoic acid
Appearance White solid
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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-/m1/s1
InChIKey NVEAHDYLAANZEW-MRVPVSSYSA-N
Instrument Name JEOL JMS-FABmate
Ionization Type EI
Literature Reference DOI 10.1021/np0498509
Molecular Weight 278.231 g/mol
Optical Rotation [a]D28 = +5.9 (c = 0.34, H2O)
Reported Formula C9H10O8S
SMILES Oc1c(cc(C[C@@](OS(O)(=O)=O)(C(=O)O)[H])cc1)O
SPLASH splash10-00gr-1900000000-795db77c82f9be9547a5
Source of Spectrum G4-67-1765-2
Synonyms Tichocarpol B
Wiley ID 1881554