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Methyl 4,5-bis(methylthio)-nonadecanoate
SpectraBase Compound ID CKkTMFR9oH4
InChI InChI=1S/C22H44O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25-3)21(26-4)18-19-22(23)24-2/h20-21H,5-19H2,1-4H3
InChIKey SNIIOVZUXYKSID-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C22H44O2S2
Exact Mass 404.278273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yyhZ6vj6W
Name Methyl 4,5-bis(methylthio)-nonadecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2S2
InChI InChI=1S/C22H44O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25-3)21(26-4)18-19-22(23)24-2/h20-21H,5-19H2,1-4H3
InChIKey SNIIOVZUXYKSID-UHFFFAOYSA-N
Molecular Weight 404.712 g/mol
SMILES C(CCC(C(CCCCCCCCCCCCCC)SC)SC)(=O)OC
SPLASH splash10-0aos-9320000000-7971ca564f186ce673e8
Source of Spectrum X2-57-1159-0
Synonyms Methyl 4,5-bis(methylsulfanyl)nonadecanoate
Wiley ID 1605603