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Picolinyl 10-oxo-octadec-14-enoate

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

Picolinyl 10-oxo-octadec-14-enoate
SpectraBase Compound ID GKc0MjAsUDR
InChI InChI=1S/C24H37NO3/c1-2-3-4-5-8-11-16-23(26)17-12-9-6-7-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h4-5,14-15,19-20H,2-3,6-13,16-18,21H2,1H3/b5-4+
InChIKey ZDLQGYZAVVVXBX-SNAWJCMRSA-N
Mol Weight 387.6 g/mol
Molecular Formula C24H37NO3
Exact Mass 387.277344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4dadz7dRrKJ
Name Picolinyl 10-oxo-octadec-14-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.277344052 u
Formula C24H37NO3
InChI InChI=1S/C24H37NO3/c1-2-3-4-5-8-11-16-23(26)17-12-9-6-7-10-13-18-24(27)28-21-22-15-14-19-25-20-22/h4-5,14-15,19-20H,2-3,6-13,16-18,21H2,1H3/b5-4+
InChIKey ZDLQGYZAVVVXBX-SNAWJCMRSA-N
Molecular Weight 387.564 g/mol
SMILES C1(=CN=CC=C1)COC(CCCCCCCCC(CCC\C=C\CCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971455