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2-nicotinoyl-1,3-dioctanoylglycerol
SpectraBase Compound ID H2lUWydYgFT
InChI InChI=1S/C25H39NO6/c1-3-5-7-9-11-15-23(27)30-19-22(32-25(29)21-14-13-17-26-18-21)20-31-24(28)16-12-10-8-6-4-2/h13-14,17-18,22H,3-12,15-16,19-20H2,1-2H3
InChIKey JOHQRLUWQOWULZ-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C25H39NO6
Exact Mass 449.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID App5zB1zHqh
Name 2-nicotinoyl-1,3-dioctanoylglycerol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-3-5-7-9-11-15-23(27)30-19-22(32-25(29)21-14-13-17-26-18-21)20-31-24(28)16-12-10-8-6-4-2/h13-14,17-18,22H,3-12,15-16,19-20H2,1-2H3
InChIKey JOHQRLUWQOWULZ-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES C(c1cnccc1)(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)=O
SPLASH splash10-05fr-0902000000-107eee6d52cf98b95979
Source of Spectrum O-29-253-0
Synonyms 2-(octanoyloxy)-1-[(octanoyloxy)methyl]ethyl nicotinate
Wiley ID 1387456