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Valproic acid, tetradecyl ester

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

Valproic acid, tetradecyl ester
SpectraBase Compound ID CNNxf71TbiH
InChI InChI=1S/C22H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-24-22(23)21(18-5-2)19-6-3/h21H,4-20H2,1-3H3
InChIKey FRBMNCVBEBVBTB-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJJ06nCTVLg
Name Valproic acid, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-24-22(23)21(18-5-2)19-6-3/h21H,4-20H2,1-3H3
InChIKey FRBMNCVBEBVBTB-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCC)C(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940909