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Methyl 19,20-bis(methylthio)-heptacosanoate
SpectraBase Compound ID DLR3Py7vB39
InChI InChI=1S/C30H60O2S2/c1-5-6-7-19-22-25-28(33-3)29(34-4)26-23-20-17-15-13-11-9-8-10-12-14-16-18-21-24-27-30(31)32-2/h28-29H,5-27H2,1-4H3
InChIKey FXQCAWJXFVAFPQ-UHFFFAOYSA-N
Mol Weight 516.9 g/mol
Molecular Formula C30H60O2S2
Exact Mass 516.403474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XW3ChTbcm
Name Methyl 19,20-bis(methylthio)-heptacosanoate
Alternate Name(s) Methyl 19,20-bis(methylsulfanyl)heptacosanoate
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Formula C30H60O2S2
InChI InChI=1S/C30H60O2S2/c1-5-6-7-19-22-25-28(33-3)29(34-4)26-23-20-17-15-13-11-9-8-10-12-14-16-18-21-24-27-30(31)32-2/h28-29H,5-27H2,1-4H3
InChIKey FXQCAWJXFVAFPQ-UHFFFAOYSA-N
Molecular Weight 516.928 g/mol
SMILES C(CCCCCCCCCCCCCCCCCC(C(CCCCCCC)SC)SC)(=O)OC
SPLASH splash10-0159-9100000000-c3239ced69e98d3c92ef
Source of Spectrum X2-56-745-0
Wiley ID 1604846