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Octadecanoic acid, 16-methyl-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Octadecanoic acid, 16-methyl-, methyl ester
SpectraBase Compound ID E43IB7tP4yu
InChI InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey IAAPBHVWQFGAED-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CHihqzMEEDy
Name Octadecanoic acid, 16-methyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey IAAPBHVWQFGAED-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(C(CC)C)CCCCCCCCCCCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929742