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Methyl 21,22-bis(methylthio)-octacosanoate
SpectraBase Compound ID LTfEmGPIz9Q
InChI InChI=1S/C31H62O2S2/c1-5-6-7-23-26-29(34-3)30(35-4)27-24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-25-28-31(32)33-2/h29-30H,5-28H2,1-4H3
InChIKey UWKSSZAECWBWPV-UHFFFAOYSA-N
Mol Weight 531.0 g/mol
Molecular Formula C31H62O2S2
Exact Mass 530.419124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8q5B3kinZn
Name Methyl 21,22-bis(methylthio)-octacosanoate
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Formula C31H62O2S2
InChI InChI=1S/C31H62O2S2/c1-5-6-7-23-26-29(34-3)30(35-4)27-24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-25-28-31(32)33-2/h29-30H,5-28H2,1-4H3
InChIKey UWKSSZAECWBWPV-UHFFFAOYSA-N
Molecular Weight 530.955 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCC(C(CCCCCC)SC)SC)(=O)OC
SPLASH splash10-0cka-9100000000-a9b76ccd26e68cf6bea2
Source of Spectrum X2-55-339-0
Synonyms Methyl 21,22-bis(methylsulfanyl)octacosanoate
Wiley ID 1604379