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

*Links on SpectraBase are not permalinks.

Pimelic acid, 5-methoxy-3-methylpent-2-yl tetradecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 5-methoxy-3-methylpent-2-yl tetradecyl ester
SpectraBase Compound ID Kwz1gligtnU
InChI InChI=1S/C28H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-19-23-32-27(29)20-17-16-18-21-28(30)33-26(3)25(2)22-24-31-4/h25-26H,5-24H2,1-4H3
InChIKey LBYSNKYXGONGOP-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H54O5
Exact Mass 470.397125 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 CQ475AAn6nj
Name Pimelic acid, 5-methoxy-3-methylpent-2-yl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.397124834 u
Formula C28H54O5
InChI InChI=1S/C28H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-19-23-32-27(29)20-17-16-18-21-28(30)33-26(3)25(2)22-24-31-4/h25-26H,5-24H2,1-4H3
InChIKey LBYSNKYXGONGOP-UHFFFAOYSA-N
Molecular Weight 470.735 g/mol
SMILES C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCCCCCCCC)=O