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6-(5-Butyl-6-thioxo-1,3,5-thiadiazian-3-yl)hexanoic acid
SpectraBase Compound ID 1h9FgLwMWG5
InChI InChI=1S/C13H24N2O2S2/c1-2-3-9-15-10-14(11-19-13(15)18)8-6-4-5-7-12(16)17/h2-11H2,1H3,(H,16,17)
InChIKey AOMZCHWQNNJMPJ-UHFFFAOYSA-N
Mol Weight 304.47 g/mol
Molecular Formula C13H24N2O2S2
Exact Mass 304.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnitpQOCZd6
Name 6-(5-Butyl-6-thioxo-1,3,5-thiadiazian-3-yl)hexanoic acid
Appearance Colourless solid
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Formula C13H24N2O2S2
InChI InChI=1S/C13H24N2O2S2/c1-2-3-9-15-10-14(11-19-13(15)18)8-6-4-5-7-12(16)17/h2-11H2,1H3,(H,16,17)
InChIKey AOMZCHWQNNJMPJ-UHFFFAOYSA-N
Instrument Name Jeol Mat 312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3705
Molecular Weight 304.467 g/mol
SMILES OC(CCCCCN1CSC(N(C1)CCCC)=S)=O
SPLASH splash10-0a7j-9100000000-45a89c1e122d167186cf
Source of Spectrum Y-56-3078-9
Wiley ID 1861123