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Picolinyl 12-methyltridecanoate

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

Picolinyl 12-methyltridecanoate
SpectraBase Compound ID GWoGAMfYLuV
InChI InChI=1S/C20H33NO2/c1-18(2)12-9-7-5-3-4-6-8-10-14-20(22)23-17-19-13-11-15-21-16-19/h11,13,15-16,18H,3-10,12,14,17H2,1-2H3
InChIKey UCGWHHNXKDFBLP-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJfk2Byt22n
Name Picolinyl 12-methyltridecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-18(2)12-9-7-5-3-4-6-8-10-14-20(22)23-17-19-13-11-15-21-16-19/h11,13,15-16,18H,3-10,12,14,17H2,1-2H3
InChIKey UCGWHHNXKDFBLP-UHFFFAOYSA-N
Molecular Weight 319.489 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800337