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1,4,7,10,13-Pentaoxatrideca-1,13-diylbisbenzoxylic acid

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1,4,7,10,13-Pentaoxatrideca-1,13-diylbisbenzoxylic acid
SpectraBase Compound ID IiwMdlpFfJt
InChI InChI=1S/C22H28O8/c23-17-18-1-5-20(6-2-18)29-15-13-27-11-9-26-10-12-28-14-16-30-21-7-3-19(4-8-21)22(24)25/h1-8,23H,9-17H2,(H,24,25)
InChIKey GUCZKMDVCXJFIJ-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9P1Q8oyoBdX
Name 1,4,7,10,13-Pentaoxatrideca-1,13-diylbisbenzoxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.178417854 u
Formula C22H28O8
InChI InChI=1S/C22H28O8/c23-17-18-1-5-20(6-2-18)29-15-13-27-11-9-26-10-12-28-14-16-30-21-7-3-19(4-8-21)22(24)25/h1-8,23H,9-17H2,(H,24,25)
InChIKey GUCZKMDVCXJFIJ-UHFFFAOYSA-N
Molecular Weight 420.458 g/mol
SMILES C(C1=CC=C(C=C1)OCCOCCOCCOCCOC1=CC=C(C=C1)CO)(=O)O