| SpectraBase Compound ID | LFXnzNimibi |
|---|---|
| InChI | InChI=1S/C13H16BrClN2S/c14-10-5-6-12(11(15)9-10)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18) |
| InChIKey | NXLJBTBBOPPQPV-UHFFFAOYSA-N |
| Mol Weight | 347.7 g/mol |
| Molecular Formula | C13H16BrClN2S |
| Exact Mass | 345.99061 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlgrMzmwzoy |
|---|---|
| Name | 4'-bromo-2'-chlorohexahydrothio-1H-azepine-1-carboxanilide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16BrClN2S |
| InChI | InChI=1S/C13H16BrClN2S/c14-10-5-6-12(11(15)9-10)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18) |
| InChIKey | NXLJBTBBOPPQPV-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 29081M |
| Solvent | CDCl3 |