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Picolinyl 18-methyleicosanoate

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

Picolinyl 18-methyleicosanoate
SpectraBase Compound ID 1d78b6hi5Fd
InChI InChI=1S/C27H47NO2/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h18,20,22-23,25H,3-17,19,21,24H2,1-2H3
InChIKey NHWROXGODZJJHL-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 AvQ52icSZm7
Name Picolinyl 18-methyleicosanoate
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/c1-3-25(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-21-27(29)30-24-26-20-18-22-28-23-26/h18,20,22-23,25H,3-17,19,21,24H2,1-2H3
InChIKey NHWROXGODZJJHL-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCCCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865191