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3-[(1-E)-3-HYDROXY-3-METHYL-1-BUTENYL]-4-METHOXY-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
SpectraBase Compound ID 8RHEs14V8hf
InChI InChI=1S/C18H24O4/c1-12(2)6-7-13-10-15(17(19)20)11-14(16(13)22-5)8-9-18(3,4)21/h6,8-11,21H,7H2,1-5H3,(H,19,20)/b9-8+
InChIKey APIWMBUGOVSRBI-CMDGGOBGSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MSkCHPg4gb
Name 3-[(1-E)-3-HYDROXY-3-METHYL-1-BUTENYL]-4-METHOXY-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-12(2)6-7-13-10-15(17(19)20)11-14(16(13)22-5)8-9-18(3,4)21/h6,8-11,21H,7H2,1-5H3,(H,19,20)/b9-8+
InChIKey APIWMBUGOVSRBI-CMDGGOBGSA-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 304.386 g/mol
Sample ID 29024
Solvent CDCl3