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Rosmarinic acid
SpectraBase Compound ID 88YlwdB8j2O
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)/b6-3+/t16-/m0/s1
InChIKey DOUMFZQKYFQNTF-GIZXNFQBSA-N
Mol Weight 360.32 g/mol
Molecular Formula C18H16O8
Exact Mass 360.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ed64MtGKnW
Name ROSMARINIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O8
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)/b6-3+/t16-/m0/s1
InChIKey DOUMFZQKYFQNTF-GIZXNFQBSA-N
Literature Reference Author A.DAPKEVICIUS,T.A.VANBEEK,G.P.LELYVELD,A.VANVELDHUIZEN,A.DEG ROOT,J.P.H.LINSSEN,R
Literature Reference Citation J.NAT.PROD.,65,892(2002)
Literature Reference DOI 10.1021/np010636j
Molecular Weight 360.320 g/mol
Solvent CD3OD
Source File Reference UWSI6068