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3,4-Dihydroxy-phenyl-acetic acid, anion

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3,4-Dihydroxy-phenyl-acetic acid, anion
SpectraBase Compound ID 1a7MBAmFHPG
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-M
Mol Weight 167.14 g/mol
Molecular Formula C8H7O4
Exact Mass 167.034434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNcgKLfzM4Q
Name 3,4-Dihydroxy-phenyl-acetic acid, anion
CAS Registry Number 102-32-9#
Comments PH = 5.2, LITHIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7O4
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-M
Literature Reference C.J. Kelley, R.C. Harruff, M. Carmack, J. Org. Chem. 41, 449 (1976).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O