For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Picolinyl 9-oxo-tetradecanoate

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

Picolinyl 9-oxo-tetradecanoate
SpectraBase Compound ID JowrAz4Joxw
InChI InChI=1S/C20H31NO3/c1-2-3-7-12-19(22)13-8-5-4-6-9-14-20(23)24-17-18-11-10-15-21-16-18/h10-11,15-16H,2-9,12-14,17H2,1H3
InChIKey LGPSACJXFIZPPG-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JfDDHM9SC4a
Name Picolinyl 9-oxo-tetradecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-2-3-7-12-19(22)13-8-5-4-6-9-14-20(23)24-17-18-11-10-15-21-16-18/h10-11,15-16H,2-9,12-14,17H2,1H3
InChIKey LGPSACJXFIZPPG-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCC(CCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894311