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Methyl 9-acetoxyheneicosanoate

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

Methyl 9-acetoxyheneicosanoate
SpectraBase Compound ID 6AGzVAQKCwQ
InChI InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-13-16-19-23(28-22(2)25)20-17-14-12-15-18-21-24(26)27-3/h23H,4-21H2,1-3H3
InChIKey RCRDFTDLHCKVBM-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H46O4
Exact Mass 398.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bd1eLdpzY4O
Name Methyl 9-acetoxyheneicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.339609957 u
Formula C24H46O4
InChI InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-13-16-19-23(28-22(2)25)20-17-14-12-15-18-21-24(26)27-3/h23H,4-21H2,1-3H3
InChIKey RCRDFTDLHCKVBM-UHFFFAOYSA-N
Molecular Weight 398.628 g/mol
SMILES C(CCCCCC(OC)=O)CC(CCCCCCCCCCCC)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904532