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(+-)-O(1),O(2)-Bis(10-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
SpectraBase Compound ID 2EmJ1tK69uL
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-9-17-25-33-53-35-27-19-13-11-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-12-14-20-28-36-54-34-26-18-10-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey JVRSPVYDZRWFTL-UHFFFAOYSA-N
Mol Weight 796.2 g/mol
Molecular Formula C44H77NO7S2
Exact Mass 795.514146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FAT51JoOBZ
Name (+-)-O(1),O(2)-Bis(10-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
Alternate Name(s) 2-[(2-nitrobenzyl)oxy]-1-({[9-(octylsulfanyl)nonanoyl]oxy}methyl)ethyl 9-(octylsulfanyl)nonanoate 9-(octylthio)nonanoic acid[3-[(2-nitrophenyl)methoxy]-2-[9-(octylthio)-1-oxononoxy]propyl]ester 9-(octylthio)pelargonic acid[3-(2-nitrobenzyl)oxy-2-[9-(octylthio)nonanoyloxy]propyl]ester [3-[(2-nitrophenyl)methoxy]-2-(9-octylsulfanylnonanoyloxy)propyl]9-octylsulfanylnonanoate 9-(octylthio)nonanoic acid [3-[(2-nitrophenyl)methoxy]-2-[9-(octylthio)-1-oxononoxy]propyl] ester [3-[(2-nitrophenyl)methoxy]-2-(9-octylsulfanylnonanoyloxy)propyl] 9-octylsulfanylnonanoate
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Formula C44H77NO7S2
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-9-17-25-33-53-35-27-19-13-11-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-12-14-20-28-36-54-34-26-18-10-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey JVRSPVYDZRWFTL-UHFFFAOYSA-N
Molecular Weight 796.220 g/mol
SMILES c1(N(=O)=O)c(COCC(OC(=O)CCCCCCCCSCCCCCCCC)COC(=O)CCCCCCCCSCCCCCCCC)cccc1
SPLASH splash10-000i-0492020000-5d607f98ae3655d15620
Source of Spectrum J-58-1953-4
Wiley ID 1417107