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5,5'-(p-Phenylenedioxy)bis[2,2-dimethylvaleric acid]

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5,5'-(p-Phenylenedioxy)bis[2,2-dimethylvaleric acid]
SpectraBase Compound ID QAiDDSjdHI
InChI InChI=1S/C20H30O6/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey CJNZDBIXYDLGBC-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzynpC7QwWv
Name 5,5'-(p-Phenylenedioxy)bis[2,2-dimethylvaleric acid]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.204238680 u
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey CJNZDBIXYDLGBC-UHFFFAOYSA-N
Molecular Weight 366.454 g/mol
SMILES OC(C(CCCOC1=CC=C(OCCCC(C(O)=O)(C)C)C=C1)(C)C)=O