| SpectraBase Compound ID | 5VZEx4yx61m |
|---|---|
| InChI | InChI=1S/C15H11N3O3S/c1-9-2-7-12-13(8-9)22-15(16-12)17-14(19)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19) |
| InChIKey | XRKIUCQKQITOLK-UHFFFAOYSA-N |
| Mol Weight | 313.33 g/mol |
| Molecular Formula | C15H11N3O3S |
| Exact Mass | 313.052112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPboRdDdOvQ |
|---|---|
| Name | N-(6-Methyl-benzothiazol-2-yl)-4-nitro-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.052112397 u |
| Formula | C15H11N3O3S |
| InChI | InChI=1S/C15H11N3O3S/c1-9-2-7-12-13(8-9)22-15(16-12)17-14(19)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19) |
| InChIKey | XRKIUCQKQITOLK-UHFFFAOYSA-N |
| Molecular Weight | 313.331 g/mol |
| SMILES | C1=C2C(=CC(=C1)C)SC(=N2)NC(C1=CC=C(C=C1)N(=O)=O)=O |