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(2R)-3-(p-hydroxyphenyl)-2-sulfooxypropanoic acid
SpectraBase Compound ID IcEC0Sziv3p
InChI InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-7)5-8(9(11)12)16-17(13,14)15/h1-4,8,10H,5H2,(H,11,12)(H,13,14,15)/t8-/m1/s1
InChIKey WXGOORTYNRYLMK-MRVPVSSYSA-N
Mol Weight 262.23 g/mol
Molecular Formula C9H10O7S
Exact Mass 262.014724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VXNyD2NLfx
Name (2R)-3-(p-hydroxyphenyl)-2-sulfooxypropanoic acid
Alternate Name(s) Tichocarpol A
Appearance White solid
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Formula C9H10O7S
InChI InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-7)5-8(9(11)12)16-17(13,14)15/h1-4,8,10H,5H2,(H,11,12)(H,13,14,15)/t8-/m1/s1
InChIKey WXGOORTYNRYLMK-MRVPVSSYSA-N
Instrument Name JEOL JMS-FABmate
Ionization Type EI
Literature Reference DOI 10.1021/np0498509
Molecular Weight 262.232 g/mol
Optical Rotation [a]D26 += 2.7 (c = 0.4, H2O)
Reported Formula C9H10O7S
SMILES Oc1ccc(C[C@@](OS(O)(=O)=O)(C(=O)O)[H])cc1
SPLASH splash10-0bt9-1900000000-56c0d9312bf2bcb47abf
Source of Spectrum G4-67-1765-1
Wiley ID 1881553