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(+-)-O(1),O(2)-Bis(11-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
SpectraBase Compound ID KlJleVD6vbK
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-17-25-33-53-35-27-19-13-9-11-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-12-10-14-20-28-36-54-34-26-18-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey KMWPQZGOSHWMEN-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 LHrYM7ILgUi
Name (+-)-O(1),O(2)-Bis(11-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
Alternate Name(s) 10-(heptylthio)capric acid[2-[10-(heptylthio)decanoyloxy]-3-(2-nitrobenzyl)oxy-propyl]ester 10-(heptylthio)decanoic acid[2-[10-(heptylthio)-1-oxodecoxy]-3-[(2-nitrophenyl)methoxy]propyl]ester 2-{[10-(heptylsulfanyl)decanoyl]oxy}-1-{[(2-nitrobenzyl)oxy]methyl}ethyl 10-(heptylsulfanyl)decanoate [2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl]10-heptylsulfanyldecanoate 10-(heptylthio)decanoic acid [2-[10-(heptylthio)-1-oxodecoxy]-3-[(2-nitrophenyl)methoxy]propyl] ester [2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 10-heptylsulfanyldecanoate
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Formula C44H77NO7S2
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-17-25-33-53-35-27-19-13-9-11-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-12-10-14-20-28-36-54-34-26-18-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey KMWPQZGOSHWMEN-UHFFFAOYSA-N
Molecular Weight 796.220 g/mol
SMILES c1(N(=O)=O)c(COCC(OC(=O)CCCCCCCCCSCCCCCCC)COC(=O)CCCCCCCCCSCCCCCCC)cccc1
SPLASH splash10-000i-0193020000-c19d57b3b72084228cc0
Source of Spectrum J-58-1953-5
Wiley ID 1417106