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Picolinyl 9,19-hexacosadienoate
SpectraBase Compound ID DSBE02sMssw
InChI InChI=1S/C32H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h7-8,17-18,25-26,28-29H,2-6,9-16,19-24,27,30H2,1H3/b8-7-,18-17-
InChIKey PUVSNIPLRBPVNT-GROAESOISA-N
Mol Weight 483.8 g/mol
Molecular Formula C32H53NO2
Exact Mass 483.40763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G0mnYkeOlF8
Name Picolinyl 9,19-hexacosadienoate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 483.407629949 u
Formula C32H53NO2
InChI InChI=1S/C32H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-32(34)35-30-31-26-25-28-33-29-31/h7-8,17-18,25-26,28-29H,2-6,9-16,19-24,27,30H2,1H3/b8-7-,18-17-
InChIKey PUVSNIPLRBPVNT-GROAESOISA-N
Molecular Weight 483.781 g/mol
SMILES C(CC(=O)OCC1=CC=CN=C1)CCCCC\C=C/CCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961092