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Picolinyl 13-methylpentadecanoate

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

Picolinyl 13-methylpentadecanoate
SpectraBase Compound ID 7JNwqzXTsoA
InChI InChI=1S/C22H37NO2/c1-3-20(2)14-11-9-7-5-4-6-8-10-12-16-22(24)25-19-21-15-13-17-23-18-21/h13,15,17-18,20H,3-12,14,16,19H2,1-2H3
InChIKey JVTXRIPZXDHPJC-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C22H37NO2
Exact Mass 347.282429 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DRLuZ35cv6o
Name Picolinyl 13-methylpentadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.282429433 u
Formula C22H37NO2
InChI InChI=1S/C22H37NO2/c1-3-20(2)14-11-9-7-5-4-6-8-10-12-16-22(24)25-19-21-15-13-17-23-18-21/h13,15,17-18,20H,3-12,14,16,19H2,1-2H3
InChIKey JVTXRIPZXDHPJC-UHFFFAOYSA-N
Molecular Weight 347.543 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874518