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Eicosanoic acid, 2-methyl-

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

Eicosanoic acid, 2-methyl-
SpectraBase Compound ID EZ0tyylHtry
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey IBZUBRHHBQMYKJ-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 D4a0bdoBthA
Name Eicosanoic acid, 2-methyl-
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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey IBZUBRHHBQMYKJ-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES CCCCCCCCCCCCCCCCCCC(C)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959865