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2-Hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-6-(2-phenylethyl)benzoic acid, 3me derivative

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2-Hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-6-(2-phenylethyl)benzoic acid, 3me derivative
SpectraBase Compound ID 2cR76CPx31y
InChI InChI=1S/C24H30O5/c1-16(2)20(26-3)15-19-21(27-4)14-18(13-12-17-10-8-7-9-11-17)22(23(19)28-5)24(25)29-6/h7-11,14,20H,1,12-13,15H2,2-6H3
InChIKey IOXUFCFFMCSGPD-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oXfMWGV6GH
Name 2-Hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxy-6-(2-phenylethyl)benzoic acid, 3me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-16(2)20(26-3)15-19-21(27-4)14-18(13-12-17-10-8-7-9-11-17)22(23(19)28-5)24(25)29-6/h7-11,14,20H,1,12-13,15H2,2-6H3
InChIKey IOXUFCFFMCSGPD-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(C(C(=C)C)OC)C1=C(C=C(C(=C1OC)C(OC)=O)CCC1=CC=CC=C1)OC