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Hexadecanoic acid cyclohexyl ester

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

Hexadecanoic acid cyclohexyl ester
SpectraBase Compound ID 5UKKPlVuzLA
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3
InChIKey BMZOQYYROAVSAP-UHFFFAOYSA-N
Mol Weight 338.6 g/mol
Molecular Formula C22H42O2
Exact Mass 338.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BH5jRGcMSYE
Name Hexadecanoic acid, cyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.318480590 u
Formula C22H42O2
InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3
InChIKey BMZOQYYROAVSAP-UHFFFAOYSA-N
Molecular Weight 338.576 g/mol
SMILES C1CCC(CC1)OC(=O)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889551