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METHYL-3,5-O-DI-CAFFEOYL-QUINATE

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METHYL-3,5-O-DI-CAFFEOYL-QUINATE
SpectraBase Compound ID 4yMlJLP6IMl
InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26-/m1/s1
InChIKey VEBNYMXKXIIGFX-OKXQOVHHSA-N
Mol Weight 530.48 g/mol
Molecular Formula C26H26O12
Exact Mass 530.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGCaIMiGWuR
Name METHYL-3,5-O-DI-CAFFEOYL-QUINATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26O12
InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26-/m1/s1
InChIKey VEBNYMXKXIIGFX-OKXQOVHHSA-N
Literature Reference Author M.ZNATI,H.B.JANNET,S.CAZAUX,J.P.SOUCHARD,F.H.SKHIRI,J.BOUAJI LA
Literature Reference Citation MOLECULES,19,16959(2014)
Literature Reference DOI 10.3390/molecules191016959
Molecular Weight 530.485 g/mol
Solvent CD3OD
Source File Reference UWLU81504