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Methyl 9-acetoxyhexadecanoate

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

Methyl 9-acetoxyhexadecanoate
SpectraBase Compound ID ER6S1pv1eF4
InChI InChI=1S/C19H36O4/c1-4-5-6-8-11-14-18(23-17(2)20)15-12-9-7-10-13-16-19(21)22-3/h18H,4-16H2,1-3H3
InChIKey GQGSHDDEEKTTDV-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 GUEaH3s9Bg2
Name Methyl 9-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/c1-4-5-6-8-11-14-18(23-17(2)20)15-12-9-7-10-13-16-19(21)22-3/h18H,4-16H2,1-3H3
InChIKey GQGSHDDEEKTTDV-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES C(CCCC(CCCCCCCC(OC)=O)OC(C)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950128