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O-dodecyl S-methyl carbonodithioate
SpectraBase Compound ID 5OH6tWkjFAA
InChI InChI=1S/C14H28OS2/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(16)17-2/h3-13H2,1-2H3
InChIKey QWZQPZUGMSAVCP-UHFFFAOYSA-N
Mol Weight 276.5 g/mol
Molecular Formula C14H28OS2
Exact Mass 276.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NKBJsaJx46
Name O-dodecyl S-methyl carbonodithioate
Appearance Pale yellow oil
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Exact Mass 276.158157869 u
Formula C14H28OS2
InChI InChI=1S/C14H28OS2/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(16)17-2/h3-13H2,1-2H3
InChIKey QWZQPZUGMSAVCP-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702469
Molecular Weight 276.497 g/mol
Quality 986
Reported Formula C14H28OS2
SMILES CCCCCCCCCCCCOC(SC)=S
SPLASH splash10-0a4l-9210000000-ebbaa4fc0cb242d3d147
Source of Spectrum QE-23-SM36-14c (DOI: 10.1002/chem.201702469)
Thin-Layer Chromatography 0.70 (isohexane)
Wiley ID 1905865