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1,3-Dinicotinoyl-2-octadecanoylglycerol
SpectraBase Compound ID DwxurybfRmu
InChI InChI=1S/C33H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(36)41-30(26-39-32(37)28-19-17-22-34-24-28)27-40-33(38)29-20-18-23-35-25-29/h17-20,22-25,30H,2-16,21,26-27H2,1H3
InChIKey GMRWCOROHCKZIV-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C33H48N2O6
Exact Mass 568.351237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7rA8tRrivV
Name 1,3-Dinicotinoyl-2-octadecanoylglycerol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H48N2O6
InChI InChI=1S/C33H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31(36)41-30(26-39-32(37)28-19-17-22-34-24-28)27-40-33(38)29-20-18-23-35-25-29/h17-20,22-25,30H,2-16,21,26-27H2,1H3
InChIKey GMRWCOROHCKZIV-UHFFFAOYSA-N
Molecular Weight 568.755 g/mol
SMILES C(c1cnccc1)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(c1cnccc1)=O)=O
SPLASH splash10-0r6r-0903000000-e7d1c4f88379a2d79279
Source of Spectrum O-29-253-0
Synonyms 3-[(3-pyridinylcarbonyl)oxy]-2-(stearoyloxy)propyl nicotinate
Wiley ID 1407534