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

*Links on SpectraBase are not permalinks.

4-Chlorobenzoic acid 4-ketopentyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Chlorobenzoic acid 4-ketopentyl ester
SpectraBase Compound ID 4QNm3NmtYeg
InChI InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKey FSRDCQRKLDGCLV-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C12H13ClO3
Exact Mass 240.055322 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 1gLbEkCgy7B
Name 4-Chlorobenzoic acid 4-ketopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.055321976 u
Formula C12H13ClO3
InChI InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKey FSRDCQRKLDGCLV-UHFFFAOYSA-N
Molecular Weight 240.686 g/mol
SMILES C(C1=CC=C(C=C1)Cl)(=O)OCCCC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926255