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Rosmarinic acid, anion

View entire compound with spectra: 1 NMR

Rosmarinic acid, anion
SpectraBase Compound ID 9hQlgWtqvbV
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/p-1/b6-3+
InChIKey DOUMFZQKYFQNTF-ZZXKWVIFSA-M
Mol Weight 359.31 g/mol
Molecular Formula C18H15O8
Exact Mass 359.076692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KI9QvH6IxSl
Name Rosmarinic acid, anion
CAS Registry Number 20283-92-5
Comments PH = 7.5, SODIUM SALT
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Formula C18H15O8
InChI InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/p-1/b6-3+
InChIKey DOUMFZQKYFQNTF-ZZXKWVIFSA-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