![2-CHLORO-7-(TERT.-BUTYL)-4,7-DIHYDRO-4-OXOTHIENO-[2.3-B]-PYRIDINE-5-CARBOXYLATE](/api/spectrum/AN0dI06eVms/structure.png?h=300&w=458 "2-CHLORO-7-(TERT.-BUTYL)-4,7-DIHYDRO-4-OXOTHIENO-[2.3-B]-PYRIDINE-5-CARBOXYLATE")
| SpectraBase Compound ID | IefHwxGnD55 |
|---|---|
| InChI | InChI=1S/C12H12ClNO3S/c1-12(2,3)14-5-7(11(16)17)9(15)6-4-8(13)18-10(6)14/h4-5H,1-3H3,(H,16,17) |
| InChIKey | BMHMZYYSGXLHOZ-UHFFFAOYSA-N |
| Mol Weight | 285.75 g/mol |
| Molecular Formula | C12H12ClNO3S |
| Exact Mass | 285.022642 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AN0dI06eVms |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H12ClNO3S |
| InChI | InChI=1S/C12H12ClNO3S/c1-12(2,3)14-5-7(11(16)17)9(15)6-4-8(13)18-10(6)14/h4-5H,1-3H3,(H,16,17) |
| InChIKey | BMHMZYYSGXLHOZ-UHFFFAOYSA-N |
| Molecular Weight | 285.0224 |
| SMILES | OC(=O)C1=CN(C(C)(C)C)c2sc(Cl)cc2C1=O |
| SPLASH | splash10-06ri-9860000000-e959dcccddd65dbeb9df |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |