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5-Chlorovaleric acid, 4-tetradecyl ester

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

5-Chlorovaleric acid, 4-tetradecyl ester
SpectraBase Compound ID 1Qpn7vzz9cK
InChI InChI=1S/C19H37ClO2/c1-3-5-6-7-8-9-10-11-15-18(14-4-2)22-19(21)16-12-13-17-20/h18H,3-17H2,1-2H3
InChIKey GWCIFSFFXLJPKW-UHFFFAOYSA-N
Mol Weight 333.0 g/mol
Molecular Formula C19H37ClO2
Exact Mass 332.248208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CJI6ruwNOeE
Name 5-Chlorovaleric acid, 4-tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.248208129 u
Formula C19H37ClO2
InChI InChI=1S/C19H37ClO2/c1-3-5-6-7-8-9-10-11-15-18(14-4-2)22-19(21)16-12-13-17-20/h18H,3-17H2,1-2H3
InChIKey GWCIFSFFXLJPKW-UHFFFAOYSA-N
Molecular Weight 332.956 g/mol
SMILES CCCCCCCCCCC(OC(CCCCCl)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917726