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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2,4-dimethylpent-3-yl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dimethylpent-3-yl dodecyl ester
SpectraBase Compound ID BIMDDlwsFBP
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-15-18-21-24-32-27(30)22-19-16-13-14-17-20-23-28(31)33-29(25(2)3)26(4)5/h25-26,29H,6-24H2,1-5H3
InChIKey WOAFIVGPLYEYHA-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 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 RCUItNAokW
Name Sebacic acid, 2,4-dimethylpent-3-yl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-15-18-21-24-32-27(30)22-19-16-13-14-17-20-23-28(31)33-29(25(2)3)26(4)5/h25-26,29H,6-24H2,1-5H3
InChIKey WOAFIVGPLYEYHA-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCCCCCCCCC)=O