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3-nicotinoyl-1,2-dioctadecanoyl-rac-glycerol
SpectraBase Compound ID 9RqBiQ2iyzF
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(40-51-45(49)41-34-33-37-46-38-41)52-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey FDAMAGYNOXRNRR-UHFFFAOYSA-N
Mol Weight 730.1 g/mol
Molecular Formula C45H79NO6
Exact Mass 729.590739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eb7RbhgJ5kF
Name 3-nicotinoyl-1,2-dioctadecanoyl-rac-glycerol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H79NO6
InChI InChI=1S/C45H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43(47)50-39-42(40-51-45(49)41-34-33-37-46-38-41)52-44(48)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,42H,3-32,35-36,39-40H2,1-2H3
InChIKey FDAMAGYNOXRNRR-UHFFFAOYSA-N
Molecular Weight 730.128 g/mol
SMILES C(c1cnccc1)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-00di-0900002000-11c040a178d9d213e3a7
Source of Spectrum O-29-253-0
Synonyms 2,3-bis(stearoyloxy)propyl nicotinate 3-Pyridinecarboxylic acid 2,3-bis(1-oxooctadecoxy)propyl ester 2,3-Di(octadecanoyloxy)propyl pyridine-3-carboxylate
Wiley ID 1415894