| SpectraBase Compound ID | 7juoy75dPZo |
|---|---|
| InChI | InChI=1S/C14H11BrN2O2S/c1-16(12-8-4-11(15)5-9-12)14(20)10-2-6-13(7-3-10)17(18)19/h2-9H,1H3 |
| InChIKey | OIEBGUOLPUTEGA-UHFFFAOYSA-N |
| Mol Weight | 351.22 g/mol |
| Molecular Formula | C14H11BrN2O2S |
| Exact Mass | 349.972462 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 | CV3R4hpC0ZM |
|---|---|
| Name | 4'-Bromo-N-methyl-4-nitrothiobenzanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.972461774 u |
| Formula | C14H11BrN2O2S |
| InChI | InChI=1S/C14H11BrN2O2S/c1-16(12-8-4-11(15)5-9-12)14(20)10-2-6-13(7-3-10)17(18)19/h2-9H,1H3 |
| InChIKey | OIEBGUOLPUTEGA-UHFFFAOYSA-N |
| Molecular Weight | 351.218 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(N(C=2C=CC(=CC2)Br)C)=S)C=C1 |