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Picolinyl 5,9-heptadecadienoate

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

Picolinyl 5,9-heptadecadienoate
SpectraBase Compound ID 6Hs1nKiFWwR
InChI InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h8-9,12-13,16-17,19-20H,2-7,10-11,14-15,18,21H2,1H3/b9-8-,13-12-
InChIKey RMMOYSVCQWZSTH-OZKAYXIQSA-N
Mol Weight 357.5 g/mol
Molecular Formula C23H35NO2
Exact Mass 357.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9cDNTfNQi5U
Name Picolinyl 5,9-heptadecadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.266779369 u
Formula C23H35NO2
InChI InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)26-21-22-17-16-19-24-20-22/h8-9,12-13,16-17,19-20H,2-7,10-11,14-15,18,21H2,1H3/b9-8-,13-12-
InChIKey RMMOYSVCQWZSTH-OZKAYXIQSA-N
Molecular Weight 357.538 g/mol
SMILES C1=CN=CC(=C1)COC(CCC\C=C/CC\C=C/CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900802