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(+-)-O(1),O(2)-Bis(9-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
SpectraBase Compound ID iO5BUZSJDW
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-9-11-17-25-33-53-35-27-19-13-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-14-20-28-36-54-34-26-18-12-10-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey JHTPWMYUJFFXHR-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 JY17pSKWBZQ
Name (+-)-O(1),O(2)-Bis(9-thiastearyl)-O(3)-(2-nitrobenzyl)glycerol
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Formula C44H77NO7S2
InChI InChI=1S/C44H77NO7S2/c1-3-5-7-9-11-17-25-33-53-35-27-19-13-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-14-20-28-36-54-34-26-18-12-10-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3
InChIKey JHTPWMYUJFFXHR-UHFFFAOYSA-N
Molecular Weight 796.220 g/mol
SMILES c1(N(=O)=O)c(COCC(OC(=O)CCCCCCCSCCCCCCCCC)COC(=O)CCCCCCCSCCCCCCCCC)cccc1
SPLASH splash10-052r-0893020000-cc1d880722c5adadb562
Source of Spectrum J-58-1953-3
Synonyms 2-[(2-nitrobenzyl)oxy]-1-({[8-(nonylsulfanyl)octanoyl]oxy}methyl)ethyl 8-(nonylsulfanyl)octanoate
Wiley ID 1417108