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

*Links on SpectraBase are not permalinks.

Sebacic acid, 3,3-dimethylbut-2-yl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,3-dimethylbut-2-yl dodecyl ester
SpectraBase Compound ID Kr9fhWK9ufw
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-15-18-21-24-31-26(29)22-19-16-13-14-17-20-23-27(30)32-25(2)28(3,4)5/h25H,6-24H2,1-5H3
InChIKey JXOCOYDXJSGYRX-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 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 BjCfNaDlaSC
Name Sebacic acid, 3,3-dimethylbut-2-yl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-15-18-21-24-31-26(29)22-19-16-13-14-17-20-23-27(30)32-25(2)28(3,4)5/h25H,6-24H2,1-5H3
InChIKey JXOCOYDXJSGYRX-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCC)=O