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CIS-3,4-DIHYDRO-4,5,8-TRIHYDROXY-3-(1-PENTENYL)-ISOCOUMARIN
SpectraBase Compound ID 2aVfKxgCbW5
InChI InChI=1S/C14H16O5/c1-2-3-4-5-10-13(17)11-8(15)6-7-9(16)12(11)14(18)19-10/h4-7,10,13,15-17H,2-3H2,1H3/b5-4+/t10-,13+/m0/s1
InChIKey MHIIGKPFRWDWHU-OERKHBLVSA-N
Mol Weight 264.28 g/mol
Molecular Formula C14H16O5
Exact Mass 264.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JNu5aVaCmX
Name CIS-3,4-DIHYDRO-4,5,8-TRIHYDROXY-3-(1-PENTENYL)-ISOCOUMARIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O5
InChI InChI=1S/C14H16O5/c1-2-3-4-5-10-13(17)11-8(15)6-7-9(16)12(11)14(18)19-10/h4-7,10,13,15-17H,2-3H2,1H3/b5-4+/t10-,13+/m0/s1
InChIKey MHIIGKPFRWDWHU-OERKHBLVSA-N
Literature Reference Author Y.TAKENAKA,T.TANAHASHI,N.NAGAKURA,A.ITOH,N.HAMADA
Literature Reference Citation PHYTOCHEM.,65,3119(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.09.011
Molecular Weight 264.278 g/mol
Solvent CD3OD
Source File Reference UWVN29930