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

*Links on SpectraBase are not permalinks.

Adipic acid, 8-chloroctyl heptadecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 8-chloroctyl heptadecyl ester
SpectraBase Compound ID 3z5W3eQpylu
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23-28-35-30(33)25-20-21-26-31(34)36-29-24-19-16-14-17-22-27-32/h2-29H2,1H3
InChIKey APFJXSZJOKTTKO-UHFFFAOYSA-N
Mol Weight 531.3 g/mol
Molecular Formula C31H59ClO4
Exact Mass 530.410188 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 1YU3jKKuJH0
Name Adipic acid, 8-chloroctyl heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.410188076 u
Formula C31H59ClO4
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-23-28-35-30(33)25-20-21-26-31(34)36-29-24-19-16-14-17-22-27-32/h2-29H2,1H3
InChIKey APFJXSZJOKTTKO-UHFFFAOYSA-N
Molecular Weight 531.262 g/mol
SMILES C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCCCCCCCC)=O)=O