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Methyl 18-methylicosanoate

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

Methyl 18-methylicosanoate
SpectraBase Compound ID 22i5yiph7DV
InChI InChI=1S/C22H44O2/c1-4-21(2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey IOOSSZGDUSBSRF-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LV2VBS6AKsu
Name Methyl 18-methylicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-4-21(2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
InChIKey IOOSSZGDUSBSRF-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CCCCCCCCCCCCCCCCC(CC)C)(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940515