| SpectraBase Compound ID | IeSTypgGqqY |
|---|---|
| InChI | InChI=1S/C17H17NO2S/c1-13(20-14-7-3-2-4-8-14)17(19)18-11-12-21-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3 |
| InChIKey | ILEQOPIJKUAEHG-UHFFFAOYSA-N |
| Mol Weight | 299.39 g/mol |
| Molecular Formula | C17H17NO2S |
| Exact Mass | 299.098 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 | DpTFTrgsmuf |
|---|---|
| Name | 3,4-Dihydro-4-(2-phenoxypropionyl)-2H-1,4-benzothiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.097999963 u |
| Formula | C17H17NO2S |
| InChI | InChI=1S/C17H17NO2S/c1-13(20-14-7-3-2-4-8-14)17(19)18-11-12-21-16-10-6-5-9-15(16)18/h2-10,13H,11-12H2,1H3 |
| InChIKey | ILEQOPIJKUAEHG-UHFFFAOYSA-N |
| Molecular Weight | 299.388 g/mol |
| SMILES | C=12C=CC=CC1SCCN2C(C(OC=1C=CC=CC1)C)=O |