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Adipic acid, heptadecyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, heptadecyl 2-propylphenyl ester
SpectraBase Compound ID ABAEjLjqDjX
InChI InChI=1S/C32H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-35-31(33)26-20-21-27-32(34)36-30-25-19-18-24-29(30)23-4-2/h18-19,24-25H,3-17,20-23,26-28H2,1-2H3
InChIKey MECXJHRLNXFMLO-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VWvkK9UwSj
Name Adipic acid, heptadecyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-35-31(33)26-20-21-27-32(34)36-30-25-19-18-24-29(30)23-4-2/h18-19,24-25H,3-17,20-23,26-28H2,1-2H3
InChIKey MECXJHRLNXFMLO-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCCCCCCCCCCCCCCCC)=O