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4-[4-(4-Carboxy-2-methoxy-phenoxy)butoxy]-3-methoxy-benzoic acid

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4-[4-(4-Carboxy-2-methoxy-phenoxy)butoxy]-3-methoxy-benzoic acid
SpectraBase Compound ID 6ZmuIR1p1a0
InChI InChI=1S/C20H22O8/c1-25-17-11-13(19(21)22)5-7-15(17)27-9-3-4-10-28-16-8-6-14(20(23)24)12-18(16)26-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKey XTRCWKFJYCOFNN-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C20H22O8
Exact Mass 390.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OkSlwLfE2D
Name 4-[4-(4-Carboxy-2-methoxy-phenoxy)butoxy]-3-methoxy-benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.131467660 u
Formula C20H22O8
InChI InChI=1S/C20H22O8/c1-25-17-11-13(19(21)22)5-7-15(17)27-9-3-4-10-28-16-8-6-14(20(23)24)12-18(16)26-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKey XTRCWKFJYCOFNN-UHFFFAOYSA-N
Molecular Weight 390.388 g/mol
SMILES C(C=1C=C(OC)C(=CC1)OCCCCOC=1C(=CC(C(=O)O)=CC1)OC)(=O)O