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Thiazolo[5,4-e]-1,2,4-triazine, 3-(1,1-dimethylethyl)-6-(4-nitrophenyl)-
SpectraBase Compound ID E0nnaMuveUg
InChI InChI=1S/C14H13N5O2S/c1-14(2,3)13-16-12-10(17-18-13)15-11(22-12)8-4-6-9(7-5-8)19(20)21/h4-7H,1-3H3
InChIKey QTGWZHSVQZUTFT-UHFFFAOYSA-N
Mol Weight 315.35 g/mol
Molecular Formula C14H13N5O2S
Exact Mass 315.078996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWGY6jx7TAa
Name Thiazolo[5,4-e]-1,2,4-triazine, 3-(1,1-dimethylethyl)-6-(4-nitrophenyl)-
Alternate Name(s) 2-(p-nitrophenyl)thiazolo[5,4-e]-1,2,4-[3-t-butyl]triazine 3-tert-butyl-6-(4-nitrophenyl)[1,3]thiazolo[5,4-e][1,2,4]triazine
CAS Registry Number 112418-25-4
Comments Removed - expert review: contamination (sulfur))
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Formula C14H13N5O2S
InChI InChI=1S/C14H13N5O2S/c1-14(2,3)13-16-12-10(17-18-13)15-11(22-12)8-4-6-9(7-5-8)19(20)21/h4-7H,1-3H3
InChIKey QTGWZHSVQZUTFT-UHFFFAOYSA-N
Molecular Weight 315.351 g/mol
SMILES c12nc(sc2nc(nn1)C(C)(C)C)-c1ccc(N(=O)=O)cc1
SPLASH splash10-03fr-9810000000-d848031f33cbf9411c58
Source of Spectrum B-40-498-11
Wiley ID 1315827