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1,3-Dinicotinoyl-2-octanoylglycerol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,3-Dinicotinoyl-2-octanoylglycerol
SpectraBase Compound ID AFxAgMTQI0m
InChI InChI=1S/C23H28N2O6/c1-2-3-4-5-6-11-21(26)31-20(16-29-22(27)18-9-7-12-24-14-18)17-30-23(28)19-10-8-13-25-15-19/h7-10,12-15,20H,2-6,11,16-17H2,1H3
InChIKey JSNQJVNTVSSSQI-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C23H28N2O6
Exact Mass 428.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2960hG2BsDR
Name 1,3-Dinicotinoyl-2-octanoylglycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.194736624 u
Formula C23H28N2O6
InChI InChI=1S/C23H28N2O6/c1-2-3-4-5-6-11-21(26)31-20(16-29-22(27)18-9-7-12-24-14-18)17-30-23(28)19-10-8-13-25-15-19/h7-10,12-15,20H,2-6,11,16-17H2,1H3
InChIKey JSNQJVNTVSSSQI-UHFFFAOYSA-N
Molecular Weight 428.485 g/mol
SMILES C(C1=CN=CC=C1)(OCC(OC(=O)CCCCCCC)COC(C1=CN=CC=C1)=O)=O