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Picolinyl 16-methyl-nonadecanoate

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

Picolinyl 16-methyl-nonadecanoate
SpectraBase Compound ID 5owxo8gMrfM
InChI InChI=1S/C26H45NO2/c1-3-17-24(2)18-14-12-10-8-6-4-5-7-9-11-13-15-20-26(28)29-23-25-19-16-21-27-22-25/h16,19,21-22,24H,3-15,17-18,20,23H2,1-2H3
InChIKey UQSJJHAUZSNWAF-UHFFFAOYSA-N
Mol Weight 403.7 g/mol
Molecular Formula C26H45NO2
Exact Mass 403.34503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F86Gg38iioF
Name Picolinyl 16-methyl-nonadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.345029691 u
Formula C26H45NO2
InChI InChI=1S/C26H45NO2/c1-3-17-24(2)18-14-12-10-8-6-4-5-7-9-11-13-15-20-26(28)29-23-25-19-16-21-27-22-25/h16,19,21-22,24H,3-15,17-18,20,23H2,1-2H3
InChIKey UQSJJHAUZSNWAF-UHFFFAOYSA-N
Molecular Weight 403.651 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCC(CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866975