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2-Nicotinoyl-1,3-didodecanoylglycerol

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

2-Nicotinoyl-1,3-didodecanoylglycerol
SpectraBase Compound ID GUHQoMextwC
InChI InChI=1S/C33H55NO6/c1-3-5-7-9-11-13-15-17-19-23-31(35)38-27-30(40-33(37)29-22-21-25-34-26-29)28-39-32(36)24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26,30H,3-20,23-24,27-28H2,1-2H3
InChIKey AMNJCISIFCKEAN-UHFFFAOYSA-N
Mol Weight 561.8 g/mol
Molecular Formula C33H55NO6
Exact Mass 561.402938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClOSrR3gp53
Name 2-Nicotinoyl-1,3-didodecanoylglycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.402938489 u
Formula C33H55NO6
InChI InChI=1S/C33H55NO6/c1-3-5-7-9-11-13-15-17-19-23-31(35)38-27-30(40-33(37)29-22-21-25-34-26-29)28-39-32(36)24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26,30H,3-20,23-24,27-28H2,1-2H3
InChIKey AMNJCISIFCKEAN-UHFFFAOYSA-N
Molecular Weight 561.804 g/mol
SMILES C(C1=CN=CC=C1)(OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)=O