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Methyl 17-acetoxyoctadecanoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Methyl 17-acetoxyoctadecanoate
SpectraBase Compound ID LMOfm0EpvO3
InChI InChI=1S/C21H40O4/c1-19(25-20(2)22)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23)24-3/h19H,4-18H2,1-3H3
InChIKey GHOGWQZUCCAYEW-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CBbaepO1RdP
Name Methyl-17-acetoxyoctadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-19(25-20(2)22)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21(23)24-3/h19H,4-18H2,1-3H3
InChIKey GHOGWQZUCCAYEW-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES COC(=O)CCCCCCCCCCCCCCCC(OC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915742