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2-O-CAFFEOYL-3-(4-HYDROXYPHENYL)-LACTIC-ACID;ISORINIC-ACID
SpectraBase Compound ID EOYSIda1nEs
InChI InChI=1S/C18H16O7/c19-13-5-1-12(2-6-13)10-16(18(23)24)25-17(22)8-4-11-3-7-14(20)15(21)9-11/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1
InChIKey ZIUGAQNCXNLSFT-KZJSRBBCSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H16O7
Exact Mass 344.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E57Wmb74Jgz
Name 2-O-CAFFEOYL-3-(4-HYDROXYPHENYL)-LACTIC-ACID;ISORINIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O7
InChI InChI=1S/C18H16O7/c19-13-5-1-12(2-6-13)10-16(18(23)24)25-17(22)8-4-11-3-7-14(20)15(21)9-11/h1-9,16,19-21H,10H2,(H,23,24)/b8-4+/t16-/m1/s1
InChIKey ZIUGAQNCXNLSFT-KZJSRBBCSA-N
Literature Reference Author T.SATAKE,K.KAMIYA,Y.SAIKI,T.HAMA,Y.FUJIMOTO,S.KITANAKA,Y.KIM URA,J.UZAWA,H.ENDANG
Literature Reference Citation CHEM.PHARM.BULL.,47,1444(1999)
Literature Reference DOI 10.1248/cpb.47.1444
Molecular Weight 344.321 g/mol
Solvent DMSO-D6
Source File Reference UWLU8330