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(3-Pyridyl)methyl pentadecanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3-Pyridyl)methyl pentadecanoate
SpectraBase Compound ID 6fNyNMilYQF
InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23)24-19-20-15-14-17-22-18-20/h14-15,17-18H,2-13,16,19H2,1H3
InChIKey UTNGTSRXVAVXCM-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1hjlgU7ORgZ
Name (3-Pyridyl)methyl pentadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.266779369 u
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(23)24-19-20-15-14-17-22-18-20/h14-15,17-18H,2-13,16,19H2,1H3
InChIKey UTNGTSRXVAVXCM-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES C1(=CC=CN=C1)COC(CCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827498