| SpectraBase Compound ID | 1lPXQWU8pzP |
|---|---|
| InChI | InChI=1S/C14H11N3O4S/c1-15(12-3-2-4-13(9-12)17(20)21)14(22)10-5-7-11(8-6-10)16(18)19/h2-9H,1H3 |
| InChIKey | GWVJONQYSZBREI-UHFFFAOYSA-N |
| Mol Weight | 317.32 g/mol |
| Molecular Formula | C14H11N3O4S |
| Exact Mass | 317.047027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8JsIEJ3AKCf |
|---|---|
| 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(12-3-2-4-13(9-12)17(20)21)14(22)10-5-7-11(8-6-10)16(18)19/h2-9H,1H3 |
| InChIKey | GWVJONQYSZBREI-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC(C(N(C2=CC=CC(=C2)N(=O)=O)C)=S)=CC1 |