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4-Chlorobenzoic acid, tetradecyl ester

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4-Chlorobenzoic acid, tetradecyl ester
SpectraBase Compound ID B0UyFa2CNrI
InChI InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3
InChIKey DVGZGJLPBYEYPT-UHFFFAOYSA-N
Mol Weight 352.9 g/mol
Molecular Formula C21H33ClO2
Exact Mass 352.216908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8z6bYUDmieC
Name 4-Chlorobenzoic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.216908001 u
Formula C21H33ClO2
InChI InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17H,2-13,18H2,1H3
InChIKey DVGZGJLPBYEYPT-UHFFFAOYSA-N
Molecular Weight 352.946 g/mol
SMILES CCCCCCCCCCCCCCOC(=O)C=1C=CC(Cl)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868958