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

*Links on SpectraBase are not permalinks.

Pimelic acid, 2,5-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2,5-dichlorophenyl dodecyl ester
SpectraBase Compound ID 1MQe7EhOrGO
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-24(28)15-12-11-13-16-25(29)31-23-20-21(26)17-18-22(23)27/h17-18,20H,2-16,19H2,1H3
InChIKey SJDSGJLVNVXQIW-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 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 7csljI0K9iR
Name Pimelic acid, 2,5-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-24(28)15-12-11-13-16-25(29)31-23-20-21(26)17-18-22(23)27/h17-18,20H,2-16,19H2,1H3
InChIKey SJDSGJLVNVXQIW-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(CCCC(OCCCCCCCCCCCC)=O)CC(OC=1C=C(C=CC1Cl)Cl)=O