| SpectraBase Compound ID | JCEtDjKEizv |
|---|---|
| InChI | InChI=1S/C12H7ClN2OS2/c13-9-7-3-1-2-4-8(7)18-10(9)11(16)15-12-14-5-6-17-12/h1-6H,(H,14,15,16) |
| InChIKey | LJQWRJURTZQIGQ-UHFFFAOYSA-N |
| Mol Weight | 294.77 g/mol |
| Molecular Formula | C12H7ClN2OS2 |
| Exact Mass | 293.968833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7J2JvhwqBle |
|---|---|
| Name | Benzo[B]thiophene-2-carboxamide, 3-chloro-N-(2-thiazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.968832900 u |
| Formula | C12H7ClN2OS2 |
| InChI | InChI=1S/C12H7ClN2OS2/c13-9-7-3-1-2-4-8(7)18-10(9)11(16)15-12-14-5-6-17-12/h1-6H,(H,14,15,16) |
| InChIKey | LJQWRJURTZQIGQ-UHFFFAOYSA-N |
| Molecular Weight | 294.774 g/mol |
| SMILES | C12=CC=CC=C2C(Cl)=C(S1)C(NC=1SC=CN1)=O |