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Picolinyl 15-methyloctadecanoate

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

Picolinyl 15-methyloctadecanoate
SpectraBase Compound ID 7i2ss71yII3
InChI InChI=1S/C25H43NO2/c1-3-16-23(2)17-13-11-9-7-5-4-6-8-10-12-14-19-25(27)28-22-24-18-15-20-26-21-24/h15,18,20-21,23H,3-14,16-17,19,22H2,1-2H3
InChIKey IBNYKMSZSQGXDF-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 7sT6Wi7sQY0
Name Picolinyl 15-methyloctadecanoate
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/c1-3-16-23(2)17-13-11-9-7-5-4-6-8-10-12-14-19-25(27)28-22-24-18-15-20-26-21-24/h15,18,20-21,23H,3-14,16-17,19,22H2,1-2H3
InChIKey IBNYKMSZSQGXDF-UHFFFAOYSA-N
Molecular Weight 389.624 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889866