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Hexanoic acid, 2-tetradecyl ester

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Hexanoic acid, 2-tetradecyl ester
SpectraBase Compound ID 4t9ou1XQVUK
InChI InChI=1S/C20H40O2/c1-4-6-8-9-10-11-12-13-14-16-17-19(3)22-20(21)18-15-7-5-2/h19H,4-18H2,1-3H3
InChIKey AZWVFFLSFSUGHT-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 KjCtpN9A9X2
Name Hexanoic acid, 2-tetradecyl 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/c1-4-6-8-9-10-11-12-13-14-16-17-19(3)22-20(21)18-15-7-5-2/h19H,4-18H2,1-3H3
InChIKey AZWVFFLSFSUGHT-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES CCCCCCCCCCCCC(OC(=O)CCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947695