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Picolinyl 18-methylheneicosanoate

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

Picolinyl 18-methylheneicosanoate
SpectraBase Compound ID Fn8RALRkBaZ
InChI InChI=1S/C28H49NO2/c1-3-19-26(2)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-28(30)31-25-27-21-18-23-29-24-27/h18,21,23-24,26H,3-17,19-20,22,25H2,1-2H3
InChIKey BEULTFGHUWRIDC-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C28H49NO2
Exact Mass 431.37633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AHsahwCJStE
Name Picolinyl 18-methylheneicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.376329820 u
Formula C28H49NO2
InChI InChI=1S/C28H49NO2/c1-3-19-26(2)20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-28(30)31-25-27-21-18-23-29-24-27/h18,21,23-24,26H,3-17,19-20,22,25H2,1-2H3
InChIKey BEULTFGHUWRIDC-UHFFFAOYSA-N
Molecular Weight 431.705 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871161