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

*Links on SpectraBase are not permalinks.

Pimelic acid, 3-methyl-2-pentyl pentadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3-methyl-2-pentyl pentadecyl ester
SpectraBase Compound ID 4p7yBO7t63t
InChI InChI=1S/C28H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27(29)22-19-18-20-23-28(30)32-26(4)25(3)6-2/h25-26H,5-24H2,1-4H3
InChIKey DFQWJTQWWXSNMG-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 7xQWTTjdHtk
Name Pimelic acid, 3-methyl-2-pentyl pentadecyl 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/c1-5-7-8-9-10-11-12-13-14-15-16-17-21-24-31-27(29)22-19-18-20-23-28(30)32-26(4)25(3)6-2/h25-26H,5-24H2,1-4H3
InChIKey DFQWJTQWWXSNMG-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(OC(C(C)CC)C)(=O)CCCCCC(OCCCCCCCCCCCCCCC)=O