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Butyl 14-methylhexadecanoate

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

Butyl 14-methylhexadecanoate
SpectraBase Compound ID LhvSIblkSYU
InChI InChI=1S/C21H42O2/c1-4-6-19-23-21(22)18-16-14-12-10-8-7-9-11-13-15-17-20(3)5-2/h20H,4-19H2,1-3H3
InChIKey OAFKRVXHHZMPJJ-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4cLlTLDLAH2
Name Butyl 14-methylhexadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-4-6-19-23-21(22)18-16-14-12-10-8-7-9-11-13-15-17-20(3)5-2/h20H,4-19H2,1-3H3
InChIKey OAFKRVXHHZMPJJ-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES C(OC(CCCCCCCCCCCCC(CC)C)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949374