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(+-)-O(1),O(2)-Bis(12-thiastearyl)glycerol
SpectraBase Compound ID 9v4x53S1pYN
InChI InChI=1S/C37H72O5S2/c1-3-5-7-18-24-30-44-32-26-20-15-11-13-16-21-27-36(39)41-34-35(33-38)42-37(40)28-22-17-12-9-10-14-19-25-31-43-29-23-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey PXUSFTUMLGOXLC-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 JqlEFbrKoms
Name (+-)-O(1),O(2)-Bis(12-thiastearyl)glycerol
Alternate Name(s) 2-{[10-(heptylsulfanyl)decanoyl]oxy}-1-(hydroxymethyl)ethyl 11-(hexylsulfanyl)undecanoate
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Formula C37H72O5S2
InChI InChI=1S/C37H72O5S2/c1-3-5-7-18-24-30-44-32-26-20-15-11-13-16-21-27-36(39)41-34-35(33-38)42-37(40)28-22-17-12-9-10-14-19-25-31-43-29-23-8-6-4-2/h35,38H,3-34H2,1-2H3
InChIKey PXUSFTUMLGOXLC-UHFFFAOYSA-N
Molecular Weight 661.098 g/mol
SMILES OCC(OC(=O)CCCCCCCCCCSCCCCCC)COC(=O)CCCCCCCCCSCCCCCCC
SPLASH splash10-000i-0294030000-aff99f646bbd606767b2
Source of Spectrum J-58-1954-10
Wiley ID 1413576