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5-Chlorovaleric acid, octadecyl ester

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

5-Chlorovaleric acid, octadecyl ester
SpectraBase Compound ID G6D850nE8Je
InChI InChI=1S/C23H45ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23(25)20-17-18-21-24/h2-22H2,1H3
InChIKey NIFZBQWHRAITQZ-UHFFFAOYSA-N
Mol Weight 389.1 g/mol
Molecular Formula C23H45ClO2
Exact Mass 388.310808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GT6yc8irLxH
Name 5-Chlorovaleric acid, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.310808387 u
Formula C23H45ClO2
InChI InChI=1S/C23H45ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23(25)20-17-18-21-24/h2-22H2,1H3
InChIKey NIFZBQWHRAITQZ-UHFFFAOYSA-N
Molecular Weight 389.064 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCC)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958903