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Isovanillactic acid, anion

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Isovanillactic acid, anion
SpectraBase Compound ID 9doZo02CLgR
InChI InChI=1S/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)/p-1
InChIKey UIQJPTIJLALAGB-UHFFFAOYSA-M
Mol Weight 211.19 g/mol
Molecular Formula C10H11O5
Exact Mass 211.060648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UMFbyr7nCI
Name Isovanillactic acid, anion
CAS Registry Number 52262-43-8
Comments PH = 7.2, SODIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H11O5
InChI InChI=1S/C10H12O5/c1-15-9-3-2-6(4-7(9)11)5-8(12)10(13)14/h2-4,8,11-12H,5H2,1H3,(H,13,14)/p-1
InChIKey UIQJPTIJLALAGB-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