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1,11-Diphenyldodecane-4,8-dicarboxylic acid

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1,11-Diphenyldodecane-4,8-dicarboxylic acid
SpectraBase Compound ID ChBXRc7SupK
InChI InChI=1S/C26H34O4/c27-25(28)23(19-9-15-21-11-3-1-4-12-21)17-7-8-18-24(26(29)30)20-10-16-22-13-5-2-6-14-22/h1-6,11-14,23-24H,7-10,15-20H2,(H,27,28)(H,29,30)
InChIKey NXAOXGWNRFQGMQ-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vWfq3d2hma
Name 1,11-Diphenyldodecane-4,8-dicarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c27-25(28)23(19-9-15-21-11-3-1-4-12-21)17-7-8-18-24(26(29)30)20-10-16-22-13-5-2-6-14-22/h1-6,11-14,23-24H,7-10,15-20H2,(H,27,28)(H,29,30)
InChIKey NXAOXGWNRFQGMQ-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C1=CC(=CC=C1)CCCC(CCCCC(CCCC1=CC=CC=C1)C(=O)O)C(O)=O