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Octadecanoic acid, 4-hydroxybutyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Octadecanoic acid, 4-hydroxybutyl ester
SpectraBase Compound ID KT83lGhpTx6
InChI InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3
InChIKey IKDHIMYPOLRLJB-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 GvVClzeLTGr
Name Octadecanoic acid, 4-hydroxybutyl ester
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3
InChIKey IKDHIMYPOLRLJB-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES C(CCCCCCCCCCCCCCCC)C(OCCCCO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926024