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3-Pyridinylmethyl (9E)-9-octadecenoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-Pyridinylmethyl (9E)-9-octadecenoate
SpectraBase Compound ID AAazfSmpho2
InChI InChI=1S/C24H39NO2/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/h9-10,17-18,20-21H,2-8,11-16,19,22H2,1H3/b10-9-
InChIKey FBPJZADLPOSZEO-KTKRTIGZSA-N
Mol Weight 373.6 g/mol
Molecular Formula C24H39NO2
Exact Mass 373.298079 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7SY5B6YWmXR
Name 3-Pyridinylmethyl (9E)-9-octadecenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.298079498 u
Formula C24H39NO2
InChI InChI=1S/C24H39NO2/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/h9-10,17-18,20-21H,2-8,11-16,19,22H2,1H3/b10-9-
InChIKey FBPJZADLPOSZEO-KTKRTIGZSA-N
Molecular Weight 373.581 g/mol
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC1=CN=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973595