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Picolinyl 9-eicosenoate

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

Picolinyl 9-eicosenoate
SpectraBase Compound ID 1x4wnQuPf6Q
InChI InChI=1S/C26H43NO2/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/h11-12,19-20,22-23H,2-10,13-18,21,24H2,1H3/b12-11-
InChIKey DQAMZZCQHJSRDD-QXMHVHEDSA-N
Mol Weight 401.6 g/mol
Molecular Formula C26H43NO2
Exact Mass 401.32938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeIPCojzBUg
Name Picolinyl 9-eicosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.329379627 u
Formula C26H43NO2
InChI InChI=1S/C26H43NO2/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/h11-12,19-20,22-23H,2-10,13-18,21,24H2,1H3/b12-11-
InChIKey DQAMZZCQHJSRDD-QXMHVHEDSA-N
Molecular Weight 401.635 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCC\C=C/CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961631