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

*Links on SpectraBase are not permalinks.

Sebacic acid, 3-methylbut-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-methylbut-2-yl tetradecyl ester
SpectraBase Compound ID qW2SgSHeEJ
InChI InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-32-28(30)23-20-17-14-15-18-21-24-29(31)33-27(4)26(2)3/h26-27H,5-25H2,1-4H3
InChIKey FHEGEGQCQDDMQD-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 Z9sJFlLbkD
Name Sebacic acid, 3-methylbut-2-yl tetradecyl 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/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-32-28(30)23-20-17-14-15-18-21-24-29(31)33-27(4)26(2)3/h26-27H,5-25H2,1-4H3
InChIKey FHEGEGQCQDDMQD-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(C(OC(C(C)C)C)=O)CCCCCCCC(OCCCCCCCCCCCCCC)=O