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2-nicotinoyl-1,3-ditetradecanoylglycerol
SpectraBase Compound ID HYqXsZGrzrY
InChI InChI=1S/C37H63NO6/c1-3-5-7-9-11-13-15-17-19-21-23-27-35(39)42-31-34(44-37(41)33-26-25-29-38-30-33)32-43-36(40)28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30,34H,3-24,27-28,31-32H2,1-2H3
InChIKey CUKBFKCKKQTMNK-UHFFFAOYSA-N
Mol Weight 617.9 g/mol
Molecular Formula C37H63NO6
Exact Mass 617.465539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3frF4cFr0tV
Name 2-nicotinoyl-1,3-ditetradecanoylglycerol
Alternate Name(s) 2-(tetradecanoyloxy)-1-[(tetradecanoyloxy)methyl]ethyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H63NO6
InChI InChI=1S/C37H63NO6/c1-3-5-7-9-11-13-15-17-19-21-23-27-35(39)42-31-34(44-37(41)33-26-25-29-38-30-33)32-43-36(40)28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30,34H,3-24,27-28,31-32H2,1-2H3
InChIKey CUKBFKCKKQTMNK-UHFFFAOYSA-N
Molecular Weight 617.912 g/mol
SMILES C(c1cnccc1)(OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)=O
SPLASH splash10-00di-0900300000-6cd695cb0525d2088ca2
Source of Spectrum O-29-253-0
Wiley ID 1411371