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Rosmarinic acid

View entire compound with spectra: 6 NMR, 2 FTIR, and 2 MS (GC)

Rosmarinic acid
SpectraBase Compound ID 3Fsktxi4mIZ
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-/m1/s1
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-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 9ZujGtVnHQQ
Name ROSMARINIC-ACID
Compound Number 4A
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-/m1/s1
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N
Literature Reference Author H.KIKUZAKI,N.NAKATANI
Literature Reference Citation AGR.BIOL.CHEM.,53,519(1989)
Literature Reference DOI 10.1271/bbb1961.53.519
Molecular Weight 360.320 g/mol
Solvent CD3OD
Source File Reference UWIR7646