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Picolinyl undecanoate

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

Picolinyl undecanoate
SpectraBase Compound ID IEeDNvmUShc
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h10-11,13-14H,2-9,12,15H2,1H3
InChIKey IEUGLMPZAYMEAG-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4xIRzEKdKHl
Name Picolinyl undecanoate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-9-12-17(19)20-15-16-11-10-13-18-14-16/h10-11,13-14H,2-9,12,15H2,1H3
InChIKey IEUGLMPZAYMEAG-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87778