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Methyl 15-acetoxyhexadecanoate

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

Methyl 15-acetoxyhexadecanoate
SpectraBase Compound ID KjEykgACMpr
InChI InChI=1S/C19H36O4/c1-17(23-18(2)20)15-13-11-9-7-5-4-6-8-10-12-14-16-19(21)22-3/h17H,4-16H2,1-3H3
InChIKey PFJGFWWPKSZDFP-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H1U2ZyVRmi7
Name Methyl 15-acetoxyhexadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.261359635 u
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-17(23-18(2)20)15-13-11-9-7-5-4-6-8-10-12-14-16-19(21)22-3/h17H,4-16H2,1-3H3
InChIKey PFJGFWWPKSZDFP-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES COC(=O)CCCCCCCCCCCCCC(C)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889576