| SpectraBase Compound ID | 57nEdMHM7qN |
|---|---|
| InChI | InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17) |
| InChIKey | JBTMPOGBTOJYHS-UHFFFAOYSA-N |
| Mol Weight | 323.71 g/mol |
| Molecular Formula | C12H6ClN3O4S |
| Exact Mass | 322.976755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BXvAXzQFYL |
|---|---|
| Name | 2-Furancarboxamide, N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.976754555 u |
| Formula | C12H6ClN3O4S |
| InChI | InChI=1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17) |
| InChIKey | JBTMPOGBTOJYHS-UHFFFAOYSA-N |
| Molecular Weight | 323.710 g/mol |
| SMILES | C1(=NC=2C(Cl)=CC=CC2S1)NC(C=1OC(N(=O)=O)=CC1)=O |