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12-((Ethoxy(thiocarbonyl))thio)dodecanoic acid

View entire compound with spectra: 1 MS (GC)

12-((Ethoxy(thiocarbonyl))thio)dodecanoic acid
SpectraBase Compound ID A6fYh1MVZWK
InChI InChI=1S/C15H28O3S2/c1-2-18-15(19)20-13-11-9-7-5-3-4-6-8-10-12-14(16)17/h2-13H2,1H3,(H,16,17)
InChIKey YBJZHCJTPVNGPF-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C15H28O3S2
Exact Mass 320.147987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PAm2BYRGFL
Name 12-((Ethoxy(thiocarbonyl))thio)dodecanoic acid
Alternate Name(s) 12-[(ethoxycarbothioyl)sulfanyl]dodecanoic acid 12-[[ethoxy(sulfanylidene)methyl]thio]dodecanoic acid 12-ethoxycarbothioylsulfanyldodecanoic acid
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Formula C15H28O3S2
InChI InChI=1S/C15H28O3S2/c1-2-18-15(19)20-13-11-9-7-5-3-4-6-8-10-12-14(16)17/h2-13H2,1H3,(H,16,17)
InChIKey YBJZHCJTPVNGPF-UHFFFAOYSA-N
Molecular Weight 320.506 g/mol
SMILES OC(CCCCCCCCCCCSC(=S)OCC)=O
SPLASH splash10-00di-0910000000-f66170a65676317cdbd5
Source of Spectrum C-115-3471-11
Wiley ID 1319858