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4-Chlorobenzoic acid, cyclohexyl ester

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

4-Chlorobenzoic acid, cyclohexyl ester
SpectraBase Compound ID HnaUhm637DA
InChI InChI=1S/C13H15ClO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey XYZQVOFIZXZLFY-UHFFFAOYSA-N
Mol Weight 238.71 g/mol
Molecular Formula C13H15ClO2
Exact Mass 238.076057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D4ZjPRa2642
Name 4-Chlorobenzoic acid, cyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.076057421 u
Formula C13H15ClO2
InChI InChI=1S/C13H15ClO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey XYZQVOFIZXZLFY-UHFFFAOYSA-N
Molecular Weight 238.714 g/mol
SMILES C1(CCCCC1)OC(=O)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90018