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2-(4-mesityl-5-thioxo-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 3Rm4uoQ8LGY
InChI InChI=1S/C16H18N4O3S/c1-8-4-9(2)14(10(3)5-8)20-16(24)19(17-18-20)11-6-12(21)15-22-7-13(11)23-15/h4-5,11,13,15H,6-7H2,1-3H3/t11-,13+,15+/m0/s1
InChIKey ZILGJTVKUBMBFG-NJZAAPMLSA-N
Mol Weight 346.41 g/mol
Molecular Formula C16H18N4O3S
Exact Mass 346.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VZXCYoN7Y
Name 2-(4-mesityl-5-thioxo-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Alternate Name(s) 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-sulfanylidene-4-(2,4,6-trimethylphenyl)tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-thioxo-4-(2,4,6-trimethylphenyl)tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
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Formula C16H18N4O3S
InChI InChI=1S/C16H18N4O3S/c1-8-4-9(2)14(10(3)5-8)20-16(24)19(17-18-20)11-6-12(21)15-22-7-13(11)23-15/h4-5,11,13,15H,6-7H2,1-3H3/t11-,13+,15+/m0/s1
InChIKey ZILGJTVKUBMBFG-NJZAAPMLSA-N
Molecular Weight 346.405 g/mol
SMILES Cc1cc(c(N2C(N([C@@]3([C@@]4(O[C@](C(C3)=O)(OC4)[H])[H])[H])N=N2)=S)c(c1)C)C
SPLASH splash10-0006-9610000000-d916137935f8fb4a90ba
Wiley ID 1453533