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2-(Methylthio)-5-(4-nitrophenyl)thiazolo[4,5-d][1,3]oxazin-7-one
SpectraBase Compound ID 9VvqsKIP4Jr
InChI InChI=1S/C12H7N3O4S2/c1-20-12-14-9-8(21-12)11(16)19-10(13-9)6-2-4-7(5-3-6)15(17)18/h2-5H,1H3
InChIKey KOWHUAVNCUARDM-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C12H7N3O4S2
Exact Mass 320.987798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHYoUTVWUlD
Name 2-(Methylthio)-5-(4-nitrophenyl)thiazolo[4,5-d][1,3]oxazin-7-one
Alternate Name(s) 2-(methylthio)-5-(4-nitrophenyl)-7-thiazolo[4,5-d][1,3]oxazinone 2-methylsulfanyl-5-(4-nitrophenyl)-[1,3]thiazolo[4,5-d][1,3]oxazin-7-one 2-methylsulfanyl-5-(4-nitrophenyl)thiazolo[4,5-d][1,3]oxazin-7-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H7N3O4S2
InChI InChI=1S/C12H7N3O4S2/c1-20-12-14-9-8(21-12)11(16)19-10(13-9)6-2-4-7(5-3-6)15(17)18/h2-5H,1H3
InChIKey KOWHUAVNCUARDM-UHFFFAOYSA-N
Molecular Weight 321.325 g/mol
SMILES C=1(OC(c2c(N1)nc(s2)SC)=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0uk9-0907000000-bfc9582702e70b9ae647
Source of Spectrum SO-0-108-15
Wiley ID 1543935