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CHLOROGENIC-ACID-BUTYLESTER

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CHLOROGENIC-ACID-BUTYLESTER
SpectraBase Compound ID nxEp5Sox41
InChI InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m0/s1
InChIKey VNLREARKISTOAD-JCTHKCCLSA-N
Mol Weight 410.42 g/mol
Molecular Formula C20H26O9
Exact Mass 410.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCTRndU53OD
Name CHLOROGENIC-ACID-BUTYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O9
InChI InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m0/s1
InChIKey VNLREARKISTOAD-JCTHKCCLSA-N
Literature Reference Author J.CORTHOUT,L.PIETERS,M.CLAEYS,D.V.BERGHE,A.VLIETINCK
Literature Reference Citation PHYTOCHEM.,31,1979(1992)
Literature Reference DOI 10.1016/0031-9422(92)80344-E
Molecular Weight 410.421 g/mol
Solvent ACETONE-D6:D2O=1:1
Source File Reference UWVN6075