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1-mono(16-methylheptadecanoyl)-rac-glycerol bis(nicotinoyl) derivative
SpectraBase Compound ID 84bbGyPbCeO
InChI InChI=1S/C33H48N2O6/c1-27(2)17-13-11-9-7-5-3-4-6-8-10-12-14-20-31(36)39-25-30(41-33(38)29-19-16-22-35-24-29)26-40-32(37)28-18-15-21-34-23-28/h15-16,18-19,21-24,27,30H,3-14,17,20,25-26H2,1-2H3
InChIKey MYWWUFLDUGFHRN-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C33H48N2O6
Exact Mass 568.351237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjG3M3xL98Z
Name 1-mono(16-methylheptadecanoyl)-rac-glycerol bis(nicotinoyl) derivative
Alternate Name(s) 2-[(16-methylheptadecanoyl)oxy]-1-{[(3-pyridinylcarbonyl)oxy]methyl}ethyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H48N2O6
InChI InChI=1S/C33H48N2O6/c1-27(2)17-13-11-9-7-5-3-4-6-8-10-12-14-20-31(36)39-25-30(41-33(38)29-19-16-22-35-24-29)26-40-32(37)28-18-15-21-34-23-28/h15-16,18-19,21-24,27,30H,3-14,17,20,25-26H2,1-2H3
InChIKey MYWWUFLDUGFHRN-UHFFFAOYSA-N
Molecular Weight 568.755 g/mol
SMILES C(c1cnccc1)(OC(COC(c1cnccc1)=O)COC(=O)CCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-08mi-0912220000-dc47e438d77df74b71f0
Source of Spectrum O-31-411-0
Wiley ID 1407533