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PHASELIC-ACID;TRANS-CAFFEOYL-MALIC-ACID

View entire compound with spectra: 2 NMR

PHASELIC-ACID;TRANS-CAFFEOYL-MALIC-ACID
SpectraBase Compound ID BPowS07yAEA
InChI InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
InChIKey PMKQSEYPLQIEAY-DUXPYHPUSA-N
Mol Weight 296.23 g/mol
Molecular Formula C13H12O8
Exact Mass 296.053217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7GEhysgrfP
Name PHASELIC-ACID;TRANS-CAFFEOYL-MALIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12O8
InChI InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+
InChIKey PMKQSEYPLQIEAY-DUXPYHPUSA-N
Literature Reference Author S.WANG,E.L.GHISALBERTI,J.RIDSDILL-SMITH
Literature Reference Citation J.NAT.PROD.,61,508(1998)
Literature Reference DOI 10.1021/np970503r
Molecular Weight 296.233 g/mol
Solvent D2O
Source File Reference UWCP6222