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5-Chlorovaleric acid, tetradecyl ester

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

5-Chlorovaleric acid, tetradecyl ester
SpectraBase Compound ID HMvKpLEfaJN
InChI InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-19(21)16-13-14-17-20/h2-18H2,1H3
InChIKey RUNXJNORIBCNLQ-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 6SocjVSAFkK
Name 5-Chlorovaleric acid, 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/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-19(21)16-13-14-17-20/h2-18H2,1H3
InChIKey RUNXJNORIBCNLQ-UHFFFAOYSA-N
Molecular Weight 332.956 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCC)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930072