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4-({4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID 4qxboJrAfFN
InChI InChI=1S/C25H18O6/c1-30-22-13-16(12-20-23(26)18-4-2-3-5-19(18)24(20)27)8-11-21(22)31-14-15-6-9-17(10-7-15)25(28)29/h2-13H,14H2,1H3,(H,28,29)
InChIKey KEYHDCISXSVHEP-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C25H18O6
Exact Mass 414.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fzpnfswq8o6
Name 4-({4-[(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.110338294 u
Formula C25H18O6
InChI InChI=1S/C25H18O6/c1-30-22-13-16(12-20-23(26)18-4-2-3-5-19(18)24(20)27)8-11-21(22)31-14-15-6-9-17(10-7-15)25(28)29/h2-13H,14H2,1H3,(H,28,29)
InChIKey KEYHDCISXSVHEP-UHFFFAOYSA-N
Molecular Weight 414.413 g/mol
SMILES OC(C1=CC=C(COC=2C=CC(C=C3C(C4=CC=CC=C4C3=O)=O)=CC2OC)C=C1)=O