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METHYL_3,4-DIHYDROXY-5-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOATE
SpectraBase Compound ID EjyEfwRvkaa
InChI InChI=1S/C13H16O5/c1-7(2)10(14)5-8-4-9(13(17)18-3)6-11(15)12(8)16/h4,6,10,14-16H,1,5H2,2-3H3
InChIKey KVDSAANFJMQAKH-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGXC3fYp6OR
Name METHYL_3,4-DIHYDROXY-5-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-7(2)10(14)5-8-4-9(13(17)18-3)6-11(15)12(8)16/h4,6,10,14-16H,1,5H2,2-3H3
InChIKey KVDSAANFJMQAKH-UHFFFAOYSA-N
Literature Reference Author N.FLORES,I.A.JIMENEZ,A.GIMENEZ,G.RUIZ,D.GUTIERREZ,G.BOURDY,I .L.BAZZOCCHI
Literature Reference Citation J.NAT.PROD.,71,1538(2008)
Literature Reference DOI 10.1021/np800104p
Molecular Weight 252.267 g/mol
Sample ID 29017
Solvent CDCl3