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1,3-Dinicotinoyl-2-dodecanoylglycerol
SpectraBase Compound ID CGnQUuiEuJS
InChI InChI=1S/C27H36N2O6/c1-2-3-4-5-6-7-8-9-10-15-25(30)35-24(20-33-26(31)22-13-11-16-28-18-22)21-34-27(32)23-14-12-17-29-19-23/h11-14,16-19,24H,2-10,15,20-21H2,1H3
InChIKey RSOIECRJCLNFNK-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C27H36N2O6
Exact Mass 484.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cLPWOwOwa
Name 1,3-Dinicotinoyl-2-dodecanoylglycerol
Alternate Name(s) 2-(dodecanoyloxy)-3-[(3-pyridinylcarbonyl)oxy]propyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O6
InChI InChI=1S/C27H36N2O6/c1-2-3-4-5-6-7-8-9-10-15-25(30)35-24(20-33-26(31)22-13-11-16-28-18-22)21-34-27(32)23-14-12-17-29-19-23/h11-14,16-19,24H,2-10,15,20-21H2,1H3
InChIKey RSOIECRJCLNFNK-UHFFFAOYSA-N
Molecular Weight 484.593 g/mol
SMILES C(c1cnccc1)(OCC(OC(=O)CCCCCCCCCCC)COC(c1cnccc1)=O)=O
SPLASH splash10-0ab9-0902000000-16acd73e1de9885f90ce
Source of Spectrum O-29-253-0
Wiley ID 1396025