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

*Links on SpectraBase are not permalinks.

Picolinyl docosa-13-yn-15-trans-enoate

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

Picolinyl docosa-13-yn-15-trans-enoate
SpectraBase Compound ID 9cpO6MrPdbt
InChI InChI=1S/C28H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h7-8,21-22,24-25H,2-6,11-20,23,26H2,1H3/b8-7+
InChIKey REKMVJBJCOUDPB-BQYQJAHWSA-N
Mol Weight 425.7 g/mol
Molecular Formula C28H43NO2
Exact Mass 425.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ixd8Zt1KxkA
Name Picolinyl docosa-13-yn-15-trans-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.329379627 u
Formula C28H43NO2
InChI InChI=1S/C28H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h7-8,21-22,24-25H,2-6,11-20,23,26H2,1H3/b8-7+
InChIKey REKMVJBJCOUDPB-BQYQJAHWSA-N
Molecular Weight 425.657 g/mol
SMILES C1=CN=CC(=C1)COC(CCCCCCCCCCCC#C\C=C\CCCCCC)=O