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(+/-)-4-HYDROXY-3,5-BIS-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOIC_ACID
SpectraBase Compound ID 9bIDWsFmyPx
InChI InChI=1S/C17H22O5/c1-9(2)14(18)7-11-5-13(17(21)22)6-12(16(11)20)8-15(19)10(3)4/h5-6,14-15,18-20H,1,3,7-8H2,2,4H3,(H,21,22)
InChIKey IDEXXWNBJNRLNY-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HncBd94ZEqr
Name (+/-)-4-HYDROXY-3,5-BIS-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOIC_ACID
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-9(2)14(18)7-11-5-13(17(21)22)6-12(16(11)20)8-15(19)10(3)4/h5-6,14-15,18-20H,1,3,7-8H2,2,4H3,(H,21,22)
InChIKey IDEXXWNBJNRLNY-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 306.359 g/mol
Sample ID 29025
Solvent CDCl3