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5-Chlorovaleric acid, heptadecyl ester

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

5-Chlorovaleric acid, heptadecyl ester
SpectraBase Compound ID Ib8qf1VTuS2
InChI InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(24)19-16-17-20-23/h2-21H2,1H3
InChIKey DBESYZFSKKRNPR-UHFFFAOYSA-N
Mol Weight 375.0 g/mol
Molecular Formula C22H43ClO2
Exact Mass 374.295158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IUuGnWTdTNn
Name 5-Chlorovaleric acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.295158323 u
Formula C22H43ClO2
InChI InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(24)19-16-17-20-23/h2-21H2,1H3
InChIKey DBESYZFSKKRNPR-UHFFFAOYSA-N
Molecular Weight 375.037 g/mol
SMILES C(OCCCCCCCCCCCCCCCCC)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9467