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Ethyl 3-hydroxyicosanoate

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

Ethyl 3-hydroxyicosanoate
SpectraBase Compound ID 9HXreeTqYqd
InChI InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-4-2/h21,23H,3-20H2,1-2H3
InChIKey DRMKUFKWLLRFLJ-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H44O3
Exact Mass 356.329045 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FjL309w1tFF
Name Ethyl 3-hydroxyicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.329045274 u
Formula C22H44O3
InChI InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25-4-2/h21,23H,3-20H2,1-2H3
InChIKey DRMKUFKWLLRFLJ-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES C(CC(CCCCCCCCCCCCCCCCC)O)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883106