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Picolinyl 16-oxo-octadec-9-enoate

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

Picolinyl 16-oxo-octadec-9-enoate
SpectraBase Compound ID CANEsJFrwja
InChI InChI=1S/C24H37NO3/c1-2-23(26)17-13-11-9-7-5-3-4-6-8-10-12-14-18-24(27)28-21-22-16-15-19-25-20-22/h3,5,15-16,19-20H,2,4,6-14,17-18,21H2,1H3/b5-3-
InChIKey SIBQOCBFSQXXLG-HYXAFXHYSA-N
Mol Weight 387.6 g/mol
Molecular Formula C24H37NO3
Exact Mass 387.277344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ZyIEcsvqSH
Name Picolinyl 16-oxo-octadec-9-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.277344052 u
Formula C24H37NO3
InChI InChI=1S/C24H37NO3/c1-2-23(26)17-13-11-9-7-5-3-4-6-8-10-12-14-18-24(27)28-21-22-16-15-19-25-20-22/h3,5,15-16,19-20H,2,4,6-14,17-18,21H2,1H3/b5-3-
InChIKey SIBQOCBFSQXXLG-HYXAFXHYSA-N
Molecular Weight 387.564 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCC\C=C/CCCCCC(CC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978411