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Picolinyl 9,12-nonadecadienoate

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

Picolinyl 9,12-nonadecadienoate
SpectraBase Compound ID AZ1jFRnFuTT
InChI InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-23-24-19-18-21-26-22-24/h7-8,10-11,18-19,21-22H,2-6,9,12-17,20,23H2,1H3/b8-7-,11-10-
InChIKey OZKGYOSKKNCFCU-NQLNTKRDSA-N
Mol Weight 385.6 g/mol
Molecular Formula C25H39NO2
Exact Mass 385.298079 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9bQBxJjhs5Y
Name Picolinyl 9,12-nonadecadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.298079498 u
Formula C25H39NO2
InChI InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)28-23-24-19-18-21-26-22-24/h7-8,10-11,18-19,21-22H,2-6,9,12-17,20,23H2,1H3/b8-7-,11-10-
InChIKey OZKGYOSKKNCFCU-NQLNTKRDSA-N
Molecular Weight 385.592 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCC\C=C/C\C=C/CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965678