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(+/-)-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-4-METHOXY-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
SpectraBase Compound ID 5Y84rnn7Qxl
InChI InChI=1S/C18H24O4/c1-11(2)6-7-13-8-15(18(20)21)9-14(17(13)22-5)10-16(19)12(3)4/h6,8-9,16,19H,3,7,10H2,1-2,4-5H3,(H,20,21)
InChIKey FTUGDVWDFYHJCZ-UHFFFAOYSA-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 HKKcz4zhmxB
Name (+/-)-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-4-METHOXY-5-(3-METHYL-2-BUTENYL)-BENZOIC_ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-11(2)6-7-13-8-15(18(20)21)9-14(17(13)22-5)10-16(19)12(3)4/h6,8-9,16,19H,3,7,10H2,1-2,4-5H3,(H,20,21)
InChIKey FTUGDVWDFYHJCZ-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 304.386 g/mol
Sample ID 29023
Solvent CDCl3