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Octanoic acid, 3-tetradecyl ester

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

Octanoic acid, 3-tetradecyl ester
SpectraBase Compound ID 6lGMmlbi7QP
InChI InChI=1S/C22H44O2/c1-4-7-9-11-12-13-14-16-17-19-21(6-3)24-22(23)20-18-15-10-8-5-2/h21H,4-20H2,1-3H3
InChIKey FEEQVOQFEQXVJY-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 uMYIxqJ0An
Name Octanoic acid, 3-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/c1-4-7-9-11-12-13-14-16-17-19-21(6-3)24-22(23)20-18-15-10-8-5-2/h21H,4-20H2,1-3H3
InChIKey FEEQVOQFEQXVJY-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES CCC(OC(=O)CCCCCCC)CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937694