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Picolinyl 14-methyl-eicosanoate

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

Picolinyl 14-methyl-eicosanoate
SpectraBase Compound ID CeTQiBDuIw4
InChI InChI=1S/C27H47NO2/c1-3-4-5-14-18-25(2)19-15-12-10-8-6-7-9-11-13-16-21-27(29)30-24-26-20-17-22-28-23-26/h17,20,22-23,25H,3-16,18-19,21,24H2,1-2H3
InChIKey OSVRCZQKNMLUOW-UHFFFAOYSA-N
Mol Weight 417.7 g/mol
Molecular Formula C27H47NO2
Exact Mass 417.36068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2UWDZo76zef
Name Picolinyl 14-methyl-eicosanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.360679755 u
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-3-4-5-14-18-25(2)19-15-12-10-8-6-7-9-11-13-16-21-27(29)30-24-26-20-17-22-28-23-26/h17,20,22-23,25H,3-16,18-19,21,24H2,1-2H3
InChIKey OSVRCZQKNMLUOW-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCC(CCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827996