For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Sebacic acid, 3,4-dimethylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,4-dimethylphenyl nonyl ester
SpectraBase Compound ID 5b6Ed7meyi6
InChI InChI=1S/C27H44O4/c1-4-5-6-7-10-13-16-21-30-26(28)17-14-11-8-9-12-15-18-27(29)31-25-20-19-23(2)24(3)22-25/h19-20,22H,4-18,21H2,1-3H3
InChIKey VMMAYZARTMGXJQ-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C8wUxtKzExe
Name Sebacic acid, 3,4-dimethylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-5-6-7-10-13-16-21-30-26(28)17-14-11-8-9-12-15-18-27(29)31-25-20-19-23(2)24(3)22-25/h19-20,22H,4-18,21H2,1-3H3
InChIKey VMMAYZARTMGXJQ-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(CCCCCCC(OC=1C=C(C(C)=CC1)C)=O)CC(OCCCCCCCCC)=O