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(+-)-O(1),O(2)-Bis(9-thiastearyl)glycerol
SpectraBase Compound ID H1QoEUYJetx
InChI InChI=1S/C37H72O5S2/c1-3-5-7-9-11-13-18-24-30-44-32-26-20-16-21-27-36(39)41-34-35(33-38)42-37(40)28-22-15-14-19-25-31-43-29-23-17-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey XEDYNOUWAUSCMJ-UHFFFAOYSA-N
Mol Weight 661.1 g/mol
Molecular Formula C37H72O5S2
Exact Mass 660.482118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXR3n9StEgW
Name (+-)-O(1),O(2)-Bis(9-thiastearyl)glycerol
Alternate Name(s) 2-{[7-(decylsulfanyl)heptanoyl]oxy}-1-(hydroxymethyl)ethyl 8-(nonylsulfanyl)octanoate
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Formula C37H72O5S2
InChI InChI=1S/C37H72O5S2/c1-3-5-7-9-11-13-18-24-30-44-32-26-20-16-21-27-36(39)41-34-35(33-38)42-37(40)28-22-15-14-19-25-31-43-29-23-17-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey XEDYNOUWAUSCMJ-UHFFFAOYSA-N
Molecular Weight 661.098 g/mol
SMILES OCC(OC(=O)CCCCCCCSCCCCCCCCC)COC(=O)CCCCCCSCCCCCCCCCC
SPLASH splash10-053i-0795161000-46755508eb621444c86c
Source of Spectrum J-58-1953-7
Wiley ID 1413579