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2,2'-di-O-methyldivaricatic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,2'-di-O-methyldivaricatic acid
SpectraBase Compound ID Aur4b593AF0
InChI InChI=1S/C23H28O7/c1-6-8-14-11-17(13-18(28-4)20(14)22(24)25)30-23(26)21-15(9-7-2)10-16(27-3)12-19(21)29-5/h10-13H,6-9H2,1-5H3,(H,24,25)
InChIKey CCYIULDRPMUVNR-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7O375hJOwkj
Name 2,2'-di-o-Methyldivaricatic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.183503235 u
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-6-8-14-11-17(13-18(28-4)20(14)22(24)25)30-23(26)21-15(9-7-2)10-16(27-3)12-19(21)29-5/h10-13H,6-9H2,1-5H3,(H,24,25)
InChIKey CCYIULDRPMUVNR-UHFFFAOYSA-N
Molecular Weight 416.470 g/mol
SMILES C=1(C(OC=2C=C(OC)C(=C(C2)CCC)C(=O)O)=O)C(=CC(=CC1CCC)OC)OC