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5-Chlorovaleric acid, 4-tridecyl ester

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

5-Chlorovaleric acid, 4-tridecyl ester
SpectraBase Compound ID FwaXuB9tcGK
InChI InChI=1S/C18H35ClO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)21-18(20)15-11-12-16-19/h17H,3-16H2,1-2H3
InChIKey GXICQKKBZBKOSP-UHFFFAOYSA-N
Mol Weight 318.9 g/mol
Molecular Formula C18H35ClO2
Exact Mass 318.232558 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4gG4EBlBAit
Name 5-Chlorovaleric acid, 4-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.232558065 u
Formula C18H35ClO2
InChI InChI=1S/C18H35ClO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)21-18(20)15-11-12-16-19/h17H,3-16H2,1-2H3
InChIKey GXICQKKBZBKOSP-UHFFFAOYSA-N
Molecular Weight 318.929 g/mol
SMILES CCCCCCCCCC(OC(CCCCCl)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941503