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

*Links on SpectraBase are not permalinks.

4-Chlorobutyric acid, 4-isopropylphenyl ester

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

4-Chlorobutyric acid, 4-isopropylphenyl ester
SpectraBase Compound ID 8KzfwkPYcMv
InChI InChI=1S/C13H17ClO2/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3
InChIKey VZSJRZQELOWJTH-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C13H17ClO2
Exact Mass 240.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GORF6U2nzc3
Name 4-Chlorobutyric acid, 4-isopropylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.091707485 u
Formula C13H17ClO2
InChI InChI=1S/C13H17ClO2/c1-10(2)11-5-7-12(8-6-11)16-13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3
InChIKey VZSJRZQELOWJTH-UHFFFAOYSA-N
Molecular Weight 240.730 g/mol
SMILES C(Cl)CCC(=O)OC1=CC=C(C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868207