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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-Chloro-2-methylphenoxy)butyric acid, pentadecyl ester
SpectraBase Compound ID JKzzolqB31u
InChI InChI=1S/C26H43ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-26(28)17-16-21-29-25-19-18-24(27)22-23(25)2/h18-19,22H,3-17,20-21H2,1-2H3
InChIKey UVLNCXJMFBDJKT-UHFFFAOYSA-N
Mol Weight 439.1 g/mol
Molecular Formula C26H43ClO3
Exact Mass 438.290073 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 66PkPWkneRB
Name 4-(4-Chloro-2-methylphenoxy)butyric acid, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.290072942 u
Formula C26H43ClO3
InChI InChI=1S/C26H43ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-26(28)17-16-21-29-25-19-18-24(27)22-23(25)2/h18-19,22H,3-17,20-21H2,1-2H3
InChIKey UVLNCXJMFBDJKT-UHFFFAOYSA-N
Molecular Weight 439.080 g/mol
SMILES C(CC(OCCCCCCCCCCCCCCC)=O)COC=1C(C)=CC(=CC1)Cl