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3-Picolinyl ximeninate

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

3-Picolinyl ximeninate
SpectraBase Compound ID 4mNWpikaC7g
InChI InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h7-8,17-18,20-21H,2-6,11-16,19,22H2,1H3/b8-7-
InChIKey QOLLYGCSLMMBDA-FPLPWBNLSA-N
Mol Weight 369.5 g/mol
Molecular Formula C24H35NO2
Exact Mass 369.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5v4iajkfW4f
Name 3-Picolinyl ximeninate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.266779369 u
Formula C24H35NO2
InChI InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h7-8,17-18,20-21H,2-6,11-16,19,22H2,1H3/b8-7-
InChIKey QOLLYGCSLMMBDA-FPLPWBNLSA-N
Molecular Weight 369.549 g/mol
SMILES CCCCCC\C=C/C#CCCCCCCCC(=O)OCC1=CC=CN=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929154