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Picolinyl 17-methyl-octadecanoate

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

Picolinyl 17-methyl-octadecanoate
SpectraBase Compound ID CaH1BL9gARA
InChI InChI=1S/C25H43NO2/c1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-25(27)28-22-24-18-16-20-26-21-24/h16,18,20-21,23H,3-15,17,19,22H2,1-2H3
InChIKey CQLKWUTUOOPYMQ-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C25H43NO2
Exact Mass 389.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IOs0JX66io8
Name Picolinyl 17-methyl-octadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.329379627 u
Formula C25H43NO2
InChI InChI=1S/C25H43NO2/c1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-25(27)28-22-24-18-16-20-26-21-24/h16,18,20-21,23H,3-15,17,19,22H2,1-2H3
InChIKey CQLKWUTUOOPYMQ-UHFFFAOYSA-N
Molecular Weight 389.624 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847618