| SpectraBase Compound ID | 4SCTvs96g7a |
|---|---|
| InChI | InChI=1S/C17H17NOS/c1-12-11-16(13-7-9-14(19-2)10-8-13)18-15-5-3-4-6-17(15)20-12/h3-10,12H,11H2,1-2H3 |
| InChIKey | KTJSEZXWMADWSE-UHFFFAOYSA-N |
| Mol Weight | 283.39 g/mol |
| Molecular Formula | C17H17NOS |
| Exact Mass | 283.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FpfSxegjX7 |
|---|---|
| Name | 1,5-Benzothiazepine, 2-methyl-4-(4-methoxyphenyl)-2,3-dihydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.103085344 u |
| Formula | C17H17NOS |
| InChI | InChI=1S/C17H17NOS/c1-12-11-16(13-7-9-14(19-2)10-8-13)18-15-5-3-4-6-17(15)20-12/h3-10,12H,11H2,1-2H3 |
| InChIKey | KTJSEZXWMADWSE-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC=C2)SC(CC(=N1)C=1C=CC(=CC1)OC)C |