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1-(2,6-dimethylphenyl)-5-(methylsulfonyl)-1H-tetraazole
SpectraBase Compound ID 95pWwHjZOBA
InChI InChI=1S/C10H12N4O2S/c1-7-5-4-6-8(2)9(7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3
InChIKey VJYRCWKCISULPT-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C10H12N4O2S
Exact Mass 252.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xA0GNiY3hG
Name 1-(2,6-dimethylphenyl)-5-mesyl-tetrazole
Alternate Name(s) 1-(2,6-dimethylphenyl)-5-methylsulfonyl-1,2,3,4-tetrazole 1-(2,6-dimethylphenyl)-5-methylsulfonyl-tetrazole 1H-Tetrazole, 1-(2,6-dimethylphenyl)-5-methanesulfonyl-
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Formula C10H12N4O2S
InChI InChI=1S/C10H12N4O2S/c1-7-5-4-6-8(2)9(7)14-10(11-12-13-14)17(3,15)16/h4-6H,1-3H3
InChIKey VJYRCWKCISULPT-UHFFFAOYSA-N
Molecular Weight 252.292 g/mol
SMILES Cc1c(c(ccc1)C)-[n]1c(S(C)(=O)=O)nnn1
SPLASH splash10-0002-3900000000-1ee0bc8b7c39f6406c7f
Source of Spectrum AD-0-2532-0
Wiley ID 1436298