![Methyl 3-(4-chlorophenyl)-5-oxo-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate](/api/spectrum/KpZ4SYACDYl/structure.png?h=300&w=458 "Methyl 3-(4-chlorophenyl)-5-oxo-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate")
| SpectraBase Compound ID | CUIrRKqgy2Q |
|---|---|
| InChI | InChI=1S/C13H8ClN3O3S/c1-20-12(19)9-6-10(18)17-11(15-16-13(17)21-9)7-2-4-8(14)5-3-7/h2-6H,1H3 |
| InChIKey | XVZYWZNBZCJVIO-UHFFFAOYSA-N |
| Mol Weight | 321.74 g/mol |
| Molecular Formula | C13H8ClN3O3S |
| Exact Mass | 320.99749 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KpZ4SYACDYl |
|---|---|
| Name | Methyl 3-(4-chlorophenyl)-5-oxo-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate |
| Alternate Name(s) | 3-(4-Chlorophenyl)-5-keto-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylic acid methyl ester 3-(4-Chlorophenyl)-5-oxo-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylic acid methyl ester 5H-1,2,4-Triazolo[3,4-b]1,3-thiazine-7-carboxylic acid, 3-(4-chlorophenyl)-5-oxo-, methyl ester Methyl 3-(4-chlorophenyl)-5-oxidanylidene-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate Methyl 3-(4-chlorophenyl)-5-oxo-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxylate |
| CAS Registry Number | 265130-01-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H8ClN3O3S |
| InChI | InChI=1S/C13H8ClN3O3S/c1-20-12(19)9-6-10(18)17-11(15-16-13(17)21-9)7-2-4-8(14)5-3-7/h2-6H,1H3 |
| InChIKey | XVZYWZNBZCJVIO-UHFFFAOYSA-N |
| Molecular Weight | 321.738 g/mol |
| SMILES | COC(C1=CC([n]2c(nnc2-c2ccc(cc2)Cl)S1)=O)=O |
| SPLASH | splash10-022i-9543000000-153ca392eb80a93a48a3 |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1422123 |