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Picolinyl 12-oxo-octadecanoate

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

Picolinyl 12-oxo-octadecanoate
SpectraBase Compound ID AkLz246VxAh
InChI InChI=1S/C24H39NO3/c1-2-3-4-11-16-23(26)17-12-9-7-5-6-8-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h14-15,19-20H,2-13,16-18,21H2,1H3
InChIKey NUVVSKJNOJMABP-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 8RGuqRMt4Gj
Name Picolinyl 12-oxo-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/c1-2-3-4-11-16-23(26)17-12-9-7-5-6-8-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h14-15,19-20H,2-13,16-18,21H2,1H3
InChIKey NUVVSKJNOJMABP-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCC(CCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944083