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

*Links on SpectraBase are not permalinks.

Pimelic acid, 3-phenylpropyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3-phenylpropyl undecyl ester
SpectraBase Compound ID 7nplqOYZdor
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-16-23-30-26(28)21-14-11-15-22-27(29)31-24-17-20-25-18-12-10-13-19-25/h10,12-13,18-19H,2-9,11,14-17,20-24H2,1H3
InChIKey HEBGLWLPKCTUFO-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 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 1XLBGHTLUHE
Name Pimelic acid, 3-phenylpropyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-16-23-30-26(28)21-14-11-15-22-27(29)31-24-17-20-25-18-12-10-13-19-25/h10,12-13,18-19H,2-9,11,14-17,20-24H2,1H3
InChIKey HEBGLWLPKCTUFO-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCCCCC)=O