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(+/-)-4-HYDROXY-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
SpectraBase Compound ID 8O72nOLSHP6
InChI InChI=1S/C17H22O4/c1-10(2)5-6-12-7-14(17(20)21)8-13(16(12)19)9-15(18)11(3)4/h5,7-8,15,18-19H,3,6,9H2,1-2,4H3,(H,20,21)
InChIKey XARKMPGLVZWUBR-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GIj93XppHb
Name (+/-)-4-HYDROXY-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-10(2)5-6-12-7-14(17(20)21)8-13(16(12)19)9-15(18)11(3)4/h5,7-8,15,18-19H,3,6,9H2,1-2,4H3,(H,20,21)
InChIKey XARKMPGLVZWUBR-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 290.359 g/mol
Sample ID 29022
Solvent CDCl3