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Picolinyl 5,9-eicosadienoate

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

Picolinyl 5,9-eicosadienoate
SpectraBase Compound ID Lc2xYOFanFs
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h11-12,15-16,19-20,22-23H,2-10,13-14,17-18,21,24H2,1H3/b12-11-,16-15-
InChIKey SCRJDSUVUWYLJR-ATNUXVQMSA-N
Mol Weight 399.6 g/mol
Molecular Formula C26H41NO2
Exact Mass 399.31373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3BlBWwx84w3
Name Picolinyl 5,9-eicosadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.313729562 u
Formula C26H41NO2
InChI InChI=1S/C26H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(28)29-24-25-20-19-22-27-23-25/h11-12,15-16,19-20,22-23H,2-10,13-14,17-18,21,24H2,1H3/b12-11-,16-15-
InChIKey SCRJDSUVUWYLJR-ATNUXVQMSA-N
Molecular Weight 399.619 g/mol
SMILES C1=CN=CC(=C1)COC(CCC\C=C/CC\C=C/CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897715