| SpectraBase Compound ID | Jzj7u89ZkyB |
|---|---|
| InChI | InChI=1S/C14H11N3O4S/c1-15(11-5-7-12(8-6-11)16(18)19)14(22)10-3-2-4-13(9-10)17(20)21/h2-9H,1H3 |
| InChIKey | KQMGNYVWDJZAOT-UHFFFAOYSA-N |
| Mol Weight | 317.32 g/mol |
| Molecular Formula | C14H11N3O4S |
| Exact Mass | 317.047027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KH3OvL8s0nH |
|---|---|
| Name | 3,4'-Dinitro-N-methylthiobenzanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.047027016 u |
| Formula | C14H11N3O4S |
| InChI | InChI=1S/C14H11N3O4S/c1-15(11-5-7-12(8-6-11)16(18)19)14(22)10-3-2-4-13(9-10)17(20)21/h2-9H,1H3 |
| InChIKey | KQMGNYVWDJZAOT-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC(N(C(C2=CC=CC(=C2)N(=O)=O)=S)C)=CC1 |