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Picolinyl 18-methylnonadecanoate

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

Picolinyl 18-methylnonadecanoate
SpectraBase Compound ID FUJhChpOiA9
InChI InChI=1S/C26H45NO2/c1-24(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(28)29-23-25-19-17-21-27-22-25/h17,19,21-22,24H,3-16,18,20,23H2,1-2H3
InChIKey BBOVAEYFEQSCMS-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 B5CZe6Mphy5
Name Picolinyl 18-methylnonadecanoate
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/c1-24(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(28)29-23-25-19-17-21-27-22-25/h17,19,21-22,24H,3-16,18,20,23H2,1-2H3
InChIKey BBOVAEYFEQSCMS-UHFFFAOYSA-N
Molecular Weight 403.651 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832981