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Acetic acid, (4-chlorophenoxy)-, hexadecyl ester

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

Acetic acid, (4-chlorophenoxy)-, hexadecyl ester
SpectraBase Compound ID Lgr7zKPd8YQ
InChI InChI=1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-28-23-18-16-22(25)17-19-23/h16-19H,2-15,20-21H2,1H3
InChIKey JWNNWWGRPGWOPQ-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C24H39ClO3
Exact Mass 410.258773 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GmkUVGFKzvK
Name Acetic acid, (4-chlorophenoxy)-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.258772813 u
Formula C24H39ClO3
InChI InChI=1S/C24H39ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)21-28-23-18-16-22(25)17-19-23/h16-19H,2-15,20-21H2,1H3
InChIKey JWNNWWGRPGWOPQ-UHFFFAOYSA-N
Molecular Weight 411.026 g/mol
SMILES C(C(OCCCCCCCCCCCCCCCC)=O)OC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882999