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3-nicotinoyl-1,2-didecanoyl-rac-glycerol
SpectraBase Compound ID LSmZcSxSlOx
InChI InChI=1S/C29H47NO6/c1-3-5-7-9-11-13-15-19-27(31)34-23-26(24-35-29(33)25-18-17-21-30-22-25)36-28(32)20-16-14-12-10-8-6-4-2/h17-18,21-22,26H,3-16,19-20,23-24H2,1-2H3
InChIKey RVFSAXANDODZMM-UHFFFAOYSA-N
Mol Weight 505.7 g/mol
Molecular Formula C29H47NO6
Exact Mass 505.340338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKdonMSU4qX
Name 3-nicotinoyl-1,2-didecanoyl-rac-glycerol
Alternate Name(s) 2,3-bis(decanoyloxy)propyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47NO6
InChI InChI=1S/C29H47NO6/c1-3-5-7-9-11-13-15-19-27(31)34-23-26(24-35-29(33)25-18-17-21-30-22-25)36-28(32)20-16-14-12-10-8-6-4-2/h17-18,21-22,26H,3-16,19-20,23-24H2,1-2H3
InChIKey RVFSAXANDODZMM-UHFFFAOYSA-N
Molecular Weight 505.696 g/mol
SMILES C(c1cnccc1)(OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)=O
SPLASH splash10-00di-0902100000-f4c4c39d9f112c787635
Source of Spectrum O-29-253-0
Wiley ID 1399730