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3-(3,4-Methylenedioxy-phenyl)-lactic acid, anion
SpectraBase Compound ID IY5gZqxuR1w
InChI InChI=1S/C10H10O5/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4,7,11H,3,5H2,(H,12,13)/p-1
InChIKey YXQUWVVBVQJDCK-UHFFFAOYSA-M
Mol Weight 209.18 g/mol
Molecular Formula C10H9O5
Exact Mass 209.044998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 70Z8fb2n4EE
Name 3-(3,4-Methylenedioxy-phenyl)-lactic acid, anion
CAS Registry Number 949-14-4
Comments PH = 6.8, LITHIUM SALT
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Formula C10H9O5
InChI InChI=1S/C10H10O5/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4,7,11H,3,5H2,(H,12,13)/p-1
InChIKey YXQUWVVBVQJDCK-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