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2,3-Dinicotinoyl-1-decanoyl-rac-glycerol

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

2,3-Dinicotinoyl-1-decanoyl-rac-glycerol
SpectraBase Compound ID ENt5MdKWuew
InChI InChI=1S/C25H32N2O6/c1-2-3-4-5-6-7-8-13-23(28)31-18-22(33-25(30)21-12-10-15-27-17-21)19-32-24(29)20-11-9-14-26-16-20/h9-12,14-17,22H,2-8,13,18-19H2,1H3
InChIKey WXOYIMHBSARZLT-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C25H32N2O6
Exact Mass 456.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiwJuWKcQtq
Name 2,3-Dinicotinoyl-1-decanoyl-rac-glycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.226036752 u
Formula C25H32N2O6
InChI InChI=1S/C25H32N2O6/c1-2-3-4-5-6-7-8-13-23(28)31-18-22(33-25(30)21-12-10-15-27-17-21)19-32-24(29)20-11-9-14-26-16-20/h9-12,14-17,22H,2-8,13,18-19H2,1H3
InChIKey WXOYIMHBSARZLT-UHFFFAOYSA-N
Molecular Weight 456.539 g/mol
SMILES C(C1=CN=CC=C1)(OC(COC(C1=CN=CC=C1)=O)COC(=O)CCCCCCCCC)=O