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

*Links on SpectraBase are not permalinks.

4-(4-Chloro-2-methylphenoxy)butyric acid, tridecyl ester

View entire compound with spectra: 1 NMR

4-(4-Chloro-2-methylphenoxy)butyric acid, tridecyl ester
SpectraBase Compound ID LQbJvHETvbd
InChI InChI=1S/C24H39ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-28-24(26)15-14-19-27-23-17-16-22(25)20-21(23)2/h16-17,20H,3-15,18-19H2,1-2H3
InChIKey YNFWZKLRUMOIHX-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C24H39ClO3
Exact Mass 410.258773 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 CB6AyVeelRW
Name 4-(4-Chloro-2-methylphenoxy)butyric acid, tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.258772813 u
Formula C24H39ClO3
InChI InChI=1S/C24H39ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-28-24(26)15-14-19-27-23-17-16-22(25)20-21(23)2/h16-17,20H,3-15,18-19H2,1-2H3
InChIKey YNFWZKLRUMOIHX-UHFFFAOYSA-N
Molecular Weight 411.026 g/mol
SMILES C(CC(OCCCCCCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl