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Sebacic acid, 2-methoxybenzyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-methoxybenzyl pentyl ester
SpectraBase Compound ID I3KvH9tCg3m
InChI InChI=1S/C23H36O5/c1-3-4-13-18-27-22(24)16-9-7-5-6-8-10-17-23(25)28-19-20-14-11-12-15-21(20)26-2/h11-12,14-15H,3-10,13,16-19H2,1-2H3
InChIKey OAAGTHDZOBTNLQ-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZyZJozYxFa
Name Sebacic acid, 2-methoxybenzyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-3-4-13-18-27-22(24)16-9-7-5-6-8-10-17-23(25)28-19-20-14-11-12-15-21(20)26-2/h11-12,14-15H,3-10,13,16-19H2,1-2H3
InChIKey OAAGTHDZOBTNLQ-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OCC=1C(OC)=CC=CC1)=O