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3-(4-tert-butyl-phenoxymethyl)-6-(3-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 9t7Xb45pIsh
InChI InChI=1S/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11H,12-13H2,1-3H3
InChIKey PISKMFHQKAUFSR-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C21H21N5O3S
Exact Mass 423.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0DFj9O9GG8
Name 3-(4-tert-butyl-phenoxymethyl)-6-(3-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Alternate Name(s) 4-tert-Butylphenyl[6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl ether
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Formula C21H21N5O3S
InChI InChI=1S/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11H,12-13H2,1-3H3
InChIKey PISKMFHQKAUFSR-UHFFFAOYSA-N
Molecular Weight 423.491 g/mol
SMILES CC(c1ccc(OCc2[n]3N=C(c4cc(N(=O)=O)ccc4)CSc3nn2)cc1)(C)C
SPLASH splash10-00e9-9330000000-617dcb1e30918feb55da
Wiley ID 1466195