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

*Links on SpectraBase are not permalinks.

Pimelic acid, tetradecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, tetradecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID LiZRUVcMrMk
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-32-27(30)21-18-17-19-22-28(31)33-25-26(2)24-29(3,4)5/h26H,6-25H2,1-5H3
InChIKey RVBSJFGNAQHKFF-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 F6pDd2BQNaU
Name Pimelic acid, tetradecyl 2,4,4-trimethylpentyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-32-27(30)21-18-17-19-22-28(31)33-25-26(2)24-29(3,4)5/h26H,6-25H2,1-5H3
InChIKey RVBSJFGNAQHKFF-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCCCCCCCCCCC)=O