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Picolinyl 11-docosenoate

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

Picolinyl 11-docosenoate
SpectraBase Compound ID 2X4kbl1s5a7
InChI InChI=1S/C28H47NO2/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/h11-12,21-22,24-25H,2-10,13-20,23,26H2,1H3/b12-11+
InChIKey KEXZLJZPZRNEJL-VAWYXSNFSA-N
Mol Weight 429.7 g/mol
Molecular Formula C28H47NO2
Exact Mass 429.36068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3DBbnrSENKr
Name Picolinyl 11-docosenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.360679755 u
Formula C28H47NO2
InChI InChI=1S/C28H47NO2/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/h11-12,21-22,24-25H,2-10,13-20,23,26H2,1H3/b12-11+
InChIKey KEXZLJZPZRNEJL-VAWYXSNFSA-N
Molecular Weight 429.689 g/mol
SMILES C1(=CN=CC=C1)COC(CCCCCCCCC\C=C\CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958821