![5,6,6A,7-Tetrahydro-7-(2-thienyl)benzo[B]naphtho[1,2-E][1,4]thiazepine thiazepine](/api/spectrum/LrxGET0ObZd/structure.png?h=300&w=458 "5,6,6A,7-Tetrahydro-7-(2-thienyl)benzo[B]naphtho[1,2-E][1,4]thiazepine thiazepine")
| SpectraBase Compound ID | 3nL9JXhk1Ti |
|---|---|
| InChI | InChI=1S/C21H17NS2/c1-2-7-15-14(6-1)11-12-16-20(15)22-17-8-3-4-9-18(17)24-21(16)19-10-5-13-23-19/h1-10,13,16,21H,11-12H2 |
| InChIKey | PQDKRXIRLBKQHZ-UHFFFAOYSA-N |
| Mol Weight | 347.49 g/mol |
| Molecular Formula | C21H17NS2 |
| Exact Mass | 347.080242 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrxGET0ObZd |
|---|---|
| Name | 5,6,6a,7-tetrahydro-7-(2-thienyl)benzo[b]naphtho[1,2-e][1,4]thiazepine thiazepine |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H17NS2 |
| InChI | InChI=1S/C21H17NS2/c1-2-7-15-14(6-1)11-12-16-20(15)22-17-8-3-4-9-18(17)24-21(16)19-10-5-13-23-19/h1-10,13,16,21H,11-12H2 |
| InChIKey | PQDKRXIRLBKQHZ-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 19368M |
| Solvent | CDCl3 |