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3-nicotinoyl-1,2-dioctanoyl-rac-glycerol
SpectraBase Compound ID KIv1Dbgn6wk
InChI InChI=1S/C25H39NO6/c1-3-5-7-9-11-15-23(27)30-19-22(32-24(28)16-12-10-8-6-4-2)20-31-25(29)21-14-13-17-26-18-21/h13-14,17-18,22H,3-12,15-16,19-20H2,1-2H3
InChIKey GJCHZDAHJLUOTO-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C25H39NO6
Exact Mass 449.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKlKmqrngID
Name 3-nicotinoyl-1,2-dioctanoyl-rac-glycerol
Alternate Name(s) 2,3-bis(octanoyloxy)propyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-3-5-7-9-11-15-23(27)30-19-22(32-24(28)16-12-10-8-6-4-2)20-31-25(29)21-14-13-17-26-18-21/h13-14,17-18,22H,3-12,15-16,19-20H2,1-2H3
InChIKey GJCHZDAHJLUOTO-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES C(c1cnccc1)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)=O
SPLASH splash10-05fr-0902000000-42c209be6d9a9eb57de8
Source of Spectrum O-29-253-0
Wiley ID 1387457