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

*Links on SpectraBase are not permalinks.

Picolinyl 9-dodecenoate

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

Picolinyl 9-dodecenoate
SpectraBase Compound ID Gahkmq4JxY1
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h3-4,11-12,14-15H,2,5-10,13,16H2,1H3/b4-3-
InChIKey XLVXSDXUFDGDJN-ARJAWSKDSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 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 5MIKmORlu51
Name Picolinyl 9-dodecenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h3-4,11-12,14-15H,2,5-10,13,16H2,1H3/b4-3-
InChIKey XLVXSDXUFDGDJN-ARJAWSKDSA-N
SMILES C1=CN=CC(=C1)COC(CCCCCCC\C=C/CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941106