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N-(2,4,6-Triiodophenyl)isothiocyanate
SpectraBase Compound ID BsDgWAo09DV
InChI InChI=1S/C7H2I3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey SZYVXSBAIDCHLS-UHFFFAOYSA-N
Mol Weight 512.87 g/mol
Molecular Formula C7H2I3NS
Exact Mass 512.704205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MeYtLL0NFY
Name N-(2,4,6-Triiodophenyl)isothiocyanate
Comments Less than 3 mono-isotopic peaks
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Formula C7H2I3NS
InChI InChI=1S/C7H2I3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey SZYVXSBAIDCHLS-UHFFFAOYSA-N
Molecular Weight 512.873 g/mol
SMILES c1(c(cc(cc1I)I)I)N=C=S
SPLASH splash10-03di-0020090000-41063adcda1509824779
Source of Spectrum SO-0-826-5
Synonyms 1,3,5-triiodo-2-isothiocyanatobenzene N-(2,4,6-Triiodophenyl)isocyanate
Wiley ID 1538268