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1-mono(9,10-epoxyoctadecanoyl)-rac-glycerol bisnicotinoyl derivative
SpectraBase Compound ID GzfaOinNl1b
InChI InChI=1S/C33H46N2O7/c1-2-3-4-5-7-10-17-29-30(42-29)18-11-8-6-9-12-19-31(36)39-24-28(41-33(38)27-16-14-21-35-23-27)25-40-32(37)26-15-13-20-34-22-26/h13-16,20-23,28-30H,2-12,17-19,24-25H2,1H3
InChIKey SOSCVKVEAWLXCZ-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C33H46N2O7
Exact Mass 582.330502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Ux4NqdJMk
Name 1-mono(9,10-epoxyoctadecanoyl)-rac-glycerol bisnicotinoyl derivative
Alternate Name(s) 2-{[8-(3-octyl-2-oxiranyl)octanoyl]oxy}-1-{[(3-pyridinylcarbonyl)oxy]methyl}ethyl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N2O7
InChI InChI=1S/C33H46N2O7/c1-2-3-4-5-7-10-17-29-30(42-29)18-11-8-6-9-12-19-31(36)39-24-28(41-33(38)27-16-14-21-35-23-27)25-40-32(37)26-15-13-20-34-22-26/h13-16,20-23,28-30H,2-12,17-19,24-25H2,1H3
InChIKey SOSCVKVEAWLXCZ-UHFFFAOYSA-N
Molecular Weight 582.738 g/mol
SMILES C1(OC1CCCCCCCC(=O)OCC(OC(c1cnccc1)=O)COC(c1cnccc1)=O)CCCCCCCC
SPLASH splash10-03di-0822910000-45d5650c54142c74a248
Source of Spectrum O-31-411-0
Wiley ID 1408661