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Picolinyl 7,17-tetracosadienoate

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

Picolinyl 7,17-tetracosadienoate
SpectraBase Compound ID EEa6bHHupn5
InChI InChI=1S/C30H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,17-18,23-24,26-27H,2-6,9-16,19-22,25,28H2,1H3/b8-7-,18-17-
InChIKey PUJUWOBHZNRVPG-GROAESOISA-N
Mol Weight 455.7 g/mol
Molecular Formula C30H49NO2
Exact Mass 455.37633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BTYTKXCbn5p
Name Picolinyl 7,17-tetracosadienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.376329820 u
Formula C30H49NO2
InChI InChI=1S/C30H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30(32)33-28-29-24-23-26-31-27-29/h7-8,17-18,23-24,26-27H,2-6,9-16,19-22,25,28H2,1H3/b8-7-,18-17-
InChIKey PUJUWOBHZNRVPG-GROAESOISA-N
Molecular Weight 455.727 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCC\C=C/CCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970118