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Adipic acid, 4-biphenyl decyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 4-biphenyl decyl ester
SpectraBase Compound ID J9V3uVZpEv3
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-14-23-31-27(29)17-12-13-18-28(30)32-26-21-19-25(20-22-26)24-15-10-9-11-16-24/h9-11,15-16,19-22H,2-8,12-14,17-18,23H2,1H3
InChIKey YZXPYDCPYKZEIJ-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxtingwnTvi
Name Adipic acid, 4-biphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-14-23-31-27(29)17-12-13-18-28(30)32-26-21-19-25(20-22-26)24-15-10-9-11-16-24/h9-11,15-16,19-22H,2-8,12-14,17-18,23H2,1H3
InChIKey YZXPYDCPYKZEIJ-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(CCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCCCCCCCC)=O