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

*Links on SpectraBase are not permalinks.

Sebacic acid, 2-chloro-5-methylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-chloro-5-methylphenyl heptyl ester
SpectraBase Compound ID FZx1XQVanTs
InChI InChI=1S/C24H37ClO4/c1-3-4-5-10-13-18-28-23(26)14-11-8-6-7-9-12-15-24(27)29-22-19-20(2)16-17-21(22)25/h16-17,19H,3-15,18H2,1-2H3
InChIKey HQURJUSDNDPUSG-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 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 D0zLyWi6opS
Name Sebacic acid, 2-chloro-5-methylphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-3-4-5-10-13-18-28-23(26)14-11-8-6-7-9-12-15-24(27)29-22-19-20(2)16-17-21(22)25/h16-17,19H,3-15,18H2,1-2H3
InChIKey HQURJUSDNDPUSG-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(CCCC(OC1=CC(C)=CC=C1Cl)=O)CCCCC(OCCCCCCC)=O