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Picolinyl 9,10-epoxy-octadecanoate

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

Picolinyl 9,10-epoxy-octadecanoate
SpectraBase Compound ID 6HT2Z9VztlY
InChI InChI=1S/C24H39NO3/c1-2-3-4-5-7-10-15-22-23(28-22)16-11-8-6-9-12-17-24(26)27-20-21-14-13-18-25-19-21/h13-14,18-19,22-23H,2-12,15-17,20H2,1H3
InChIKey FJRVLTSWTRATLB-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 34bg4zM9HG7
Name Picolinyl 9,10-epoxy-octadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-2-3-4-5-7-10-15-22-23(28-22)16-11-8-6-9-12-17-24(26)27-20-21-14-13-18-25-19-21/h13-14,18-19,22-23H,2-12,15-17,20H2,1H3
InChIKey FJRVLTSWTRATLB-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCC1C(CCCCCCCC)O1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934268