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Valproic acid, dodecyl ester

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Valproic acid, dodecyl ester
SpectraBase Compound ID LY8UQ1Ue3VH
InChI InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-18-22-20(21)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3
InChIKey FNUPZOKINFXARH-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JGz3GLjym51
Name Valproic acid, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-18-22-20(21)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3
InChIKey FNUPZOKINFXARH-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(=O)(OCCCCCCCCCCCC)C(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964239