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3-(3,4-Dihydroxyphenyl)-lactic acid, anion
SpectraBase Compound ID Gc9PjB2ImOE
InChI InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/p-1
InChIKey PAFLSMZLRSPALU-UHFFFAOYSA-M
Mol Weight 197.17 g/mol
Molecular Formula C9H9O5
Exact Mass 197.044998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRQcw0C0YOQ
Name 3-(3,4-Dihydroxyphenyl)-lactic acid, anion
CAS Registry Number 23028-17-3#
Comments PH = 6.2, SODIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9O5
InChI InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/p-1
InChIKey PAFLSMZLRSPALU-UHFFFAOYSA-M
Instrument Name Varian XL-100
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