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LANCEAEFOLIC-ACID-METHYLESTER;METHYLESTER-OF-4,5-DIHYDROXY-3-(3-METHYL-2-BUTENOYL)-BENZOIC-ACID
SpectraBase Compound ID 7WMau98FiDE
InChI InChI=1S/C13H14O5/c1-7(2)4-10(14)9-5-8(13(17)18-3)6-11(15)12(9)16/h4-6,15-16H,1-3H3
InChIKey KPPDNWSCOKXHFG-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HGFLV0t0Dp
Name LANCEAEFOLIC-ACID-METHYLESTER;METHYLESTER-OF-4,5-DIHYDROXY-3-(3-METHYL-2-BUTENOYL)-BENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7(2)4-10(14)9-5-8(13(17)18-3)6-11(15)12(9)16/h4-6,15-16H,1-3H3
InChIKey KPPDNWSCOKXHFG-UHFFFAOYSA-N
Literature Reference Author A.LOPEZ,D.S.MING,G.H.N.TOWERS
Literature Reference Citation J.NAT.PROD.,65,62(2002)
Literature Reference DOI 10.1021/np010410g
Molecular Weight 250.251 g/mol
Solvent ACETONE-D6