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(+-)-O(1),O(2)-Bis(12-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
SpectraBase Compound ID AUad1pwgAFX
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-25-33-53-35-27-19-15-11-9-13-17-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-18-14-10-12-16-20-28-36-54-34-26-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey GOAHLZARTLYECE-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 H9OqgdCsOu3
Name (+-)-O(1),O(2)-Bis(12-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
Alternate Name(s) 11-(hexylthio)undecanoic acid[2-[11-(hexylthio)-1-oxoundecoxy]-3-[(2-nitrophenyl)methoxy]propyl]ester 11-(hexylthio)undecanoic acid[2-[11-(hexylthio)undecanoyloxy]-3-(2-nitrobenzyl)oxy-propyl]ester 2-{[11-(hexylsulfanyl)undecanoyl]oxy}-1-{[(2-nitrobenzyl)oxy]methyl}ethyl 11-(hexylsulfanyl)undecanoate [2-(11-hexylsulfanylundecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl]11-hexylsulfanylundecanoate 11-(hexylthio)undecanoic acid [2-[11-(hexylthio)-1-oxoundecoxy]-3-[(2-nitrophenyl)methoxy]propyl] ester [2-(11-hexylsulfanylundecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 11-hexylsulfanylundecanoate
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Formula C44H77NO7S2
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-25-33-53-35-27-19-15-11-9-13-17-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-18-14-10-12-16-20-28-36-54-34-26-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey GOAHLZARTLYECE-UHFFFAOYSA-N
Molecular Weight 796.220 g/mol
SMILES c1(N(=O)=O)c(COCC(OC(=O)CCCCCCCCCCSCCCCCC)COC(=O)CCCCCCCCCCSCCCCCC)cccc1
SPLASH splash10-000i-0779165100-a07f54f8b20e39c7710c
Source of Spectrum J-58-1953-6
Wiley ID 1417105