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Picolinyl 13-eicosenoate

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

Picolinyl 13-eicosenoate
SpectraBase Compound ID JyHpKXvZqMt
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/h7-8,19-20,22-23H,2-6,9-18,21,24H2,1H3/b8-7-
InChIKey FYHYZNDFPOUQPV-FPLPWBNLSA-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 1doP87rdPiy
Name Picolinyl 13-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/h7-8,19-20,22-23H,2-6,9-18,21,24H2,1H3/b8-7-
InChIKey FYHYZNDFPOUQPV-FPLPWBNLSA-N
Molecular Weight 401.635 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948088