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3-(Methylthio)-5-methoxy-1,6-dimethyl-1,2,4-triazinium iodide
SpectraBase Compound ID 6res2WJZgJt
InChI InChI=1S/C7H12N3OS.HI/c1-5-6(11-3)8-7(12-4)9-10(5)2;/h1-4H3;1H/q+1;/p-1
InChIKey AGUSOMBYCRZKJS-UHFFFAOYSA-M
Mol Weight 313.16 g/mol
Molecular Formula C7H12IN3OS
Exact Mass 312.974578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqrT5SCum
Name 3-(Methylthio)-5-methoxy-1,6-dimethyl-1,2,4-triazinium iodide
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Formula C7H12IN3OS
InChI InChI=1S/C7H12N3OS.HI/c1-5-6(11-3)8-7(12-4)9-10(5)2;/h1-4H3;1H/q+1;/p-1
InChIKey AGUSOMBYCRZKJS-UHFFFAOYSA-M
Molecular Weight 313.157 g/mol
SMILES [I-].c1(n[n+](c(c(n1)OC)C)C)SC
SPLASH splash10-0ab9-6900000000-af204f12857b6e7d34ba
Source of Spectrum Y-30-1321-2
Synonyms 5-Methoxy-1,6-dimethyl-3-(methylsulfanyl)-1,2,4-triazin-1-ium iodide 5-Methoxy-1,6-dimethyl-3-(methylthio)-1,2,4-triazin-1-ium iodide 5-Methoxy-1,6-dimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium;iodide
Wiley ID 761235