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

*Links on SpectraBase are not permalinks.

Pimelic acid, 4-chloro-2-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-chloro-2-methylphenyl undecyl ester
SpectraBase Compound ID H3SJNsYSKN3
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-14-19-29-24(27)15-12-11-13-16-25(28)30-23-18-17-22(26)20-21(23)2/h17-18,20H,3-16,19H2,1-2H3
InChIKey QQDMDGJEJKUVJD-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 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 EiKpxJrapWK
Name Pimelic acid, 4-chloro-2-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-14-19-29-24(27)15-12-11-13-16-25(28)30-23-18-17-22(26)20-21(23)2/h17-18,20H,3-16,19H2,1-2H3
InChIKey QQDMDGJEJKUVJD-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(CCCC(OCCCCCCCCCCC)=O)CC(OC=1C=CC(=CC1C)Cl)=O