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Methoxyacetic acid, octadecyl ester
SpectraBase Compound ID JjKPkCrA9D7
InChI InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(22)20-23-2/h3-20H2,1-2H3
InChIKey LEOOBGNLZILZIE-UHFFFAOYSA-N
Mol Weight 342.6 g/mol
Molecular Formula C21H42O3
Exact Mass 342.313395 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AW5g6DHGcOd
Name Methoxyacetic acid, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.313395209 u
Formula C21H42O3
InChI InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(22)20-23-2/h3-20H2,1-2H3
InChIKey LEOOBGNLZILZIE-UHFFFAOYSA-N
Molecular Weight 342.564 g/mol
SMILES COCC(OCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963874