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Picolinyl 8-oxo-hexadec-12-enoate

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

Picolinyl 8-oxo-hexadec-12-enoate
SpectraBase Compound ID Im4b5fOPMdN
InChI InChI=1S/C22H33NO3/c1-2-3-4-5-6-9-14-21(24)15-10-7-8-11-16-22(25)26-19-20-13-12-17-23-18-20/h4-5,12-13,17-18H,2-3,6-11,14-16,19H2,1H3/b5-4-
InChIKey DIPSAFDFMILPCV-PLNGDYQASA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4lqkJifMbry
Name Picolinyl 8-oxo-hexadec-12-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.246043924 u
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-2-3-4-5-6-9-14-21(24)15-10-7-8-11-16-22(25)26-19-20-13-12-17-23-18-20/h4-5,12-13,17-18H,2-3,6-11,14-16,19H2,1H3/b5-4-
InChIKey DIPSAFDFMILPCV-PLNGDYQASA-N
Molecular Weight 359.510 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCC(CCC\C=C/CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901205