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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-methoxy-4-[[(3-methyl-2-benzofuranyl)carbonyl]oxy]phenyl]-2,6-dimethyl-, dimethyl ester

View entire compound with spectra: 2 NMR

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-methoxy-4-[[(3-methyl-2-benzofuranyl)carbonyl]oxy]phenyl]-2,6-dimethyl-, dimethyl ester
SpectraBase Compound ID 6zHDRx5K0ey
InChI InChI=1S/C28H27NO8/c1-14-18-9-7-8-10-19(18)36-25(14)28(32)37-20-12-11-17(13-21(20)33-4)24-22(26(30)34-5)15(2)29-16(3)23(24)27(31)35-6/h7-13,24,29H,1-6H3
InChIKey ZGALKYHQJPGOJW-UHFFFAOYSA-N
Mol Weight 505.52 g/mol
Molecular Formula C28H27NO8
Exact Mass 505.173667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AleGUfJZr2M
Name 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-methoxy-4-[[(3-methyl-2-benzofuranyl)carbonyl]oxy]phenyl]-2,6-dimethyl-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.173666825 u
Formula C28H27NO8
InChI InChI=1S/C28H27NO8/c1-14-18-9-7-8-10-19(18)36-25(14)28(32)37-20-12-11-17(13-21(20)33-4)24-22(26(30)34-5)15(2)29-16(3)23(24)27(31)35-6/h7-13,24,29H,1-6H3
InChIKey ZGALKYHQJPGOJW-UHFFFAOYSA-N
Molecular Weight 505.523 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OC)C=1C=C(OC)C(OC(C=2OC=3C=CC=CC3C2C)=O)=CC1)C(=O)OC)C