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Picolinyl 15-methylhexadecanoate

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

Picolinyl 15-methylhexadecanoate
SpectraBase Compound ID Bn2DqmavQfT
InChI InChI=1S/C23H39NO2/c1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h14,16,18-19,21H,3-13,15,17,20H2,1-2H3
InChIKey XTBIGEBATJHFEX-UHFFFAOYSA-N
Mol Weight 361.6 g/mol
Molecular Formula C23H39NO2
Exact Mass 361.298079 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KGaVJSAIqxF
Name Picolinyl 15-methylhexadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.298079498 u
Formula C23H39NO2
InChI InChI=1S/C23H39NO2/c1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-17-23(25)26-20-22-16-14-18-24-19-22/h14,16,18-19,21H,3-13,15,17,20H2,1-2H3
InChIKey XTBIGEBATJHFEX-UHFFFAOYSA-N
Molecular Weight 361.570 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833614