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Nonanoic acid, 8-chlorooctyl ester

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

Nonanoic acid, 8-chlorooctyl ester
SpectraBase Compound ID JrUj9SbMCYo
InChI InChI=1S/C17H33ClO2/c1-2-3-4-5-8-11-14-17(19)20-16-13-10-7-6-9-12-15-18/h2-16H2,1H3
InChIKey APFJCMJBKSBOSO-UHFFFAOYSA-N
Mol Weight 304.9 g/mol
Molecular Formula C17H33ClO2
Exact Mass 304.216908 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5oJWxLwaiYj
Name Nonanoic acid, 8-chlorooctyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.216908001 u
Formula C17H33ClO2
InChI InChI=1S/C17H33ClO2/c1-2-3-4-5-8-11-14-17(19)20-16-13-10-7-6-9-12-15-18/h2-16H2,1H3
InChIKey APFJCMJBKSBOSO-UHFFFAOYSA-N
Molecular Weight 304.902 g/mol
SMILES C(Cl)CCCCCCCOC(CCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908972