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2-ISOFERULOYL-PISCIDIC-ACID

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2-ISOFERULOYL-PISCIDIC-ACID
SpectraBase Compound ID LeZMa6nzbla
InChI InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21+/m1/s1
InChIKey WBGMKAAMRFEBHK-USUZYHNNSA-N
Mol Weight 432.38 g/mol
Molecular Formula C21H20O10
Exact Mass 432.105647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVIEa4IM30W
Name 2-ISOFERULOYL-PISCIDIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O10
InChI InChI=1S/C21H20O10/c1-30-16-8-4-12(10-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21+/m1/s1
InChIKey WBGMKAAMRFEBHK-USUZYHNNSA-N
Literature Reference Author M.TAKAHIRA,A.KUSANO,M.SHIBANO,G.KUSANO,T.MIYASE
Literature Reference Citation PHYTOCHEM.,49,2115(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00407-5
Molecular Weight 432.384 g/mol
Solvent CD3OD
Source File Reference UWLU860