| SpectraBase Compound ID | 8l0IGQOgazE |
|---|---|
| InChI | InChI=1S/C11H13NOS/c1-8-7-11(13)12(2)9-5-3-4-6-10(9)14-8/h3-6,8H,7H2,1-2H3/t8-/m1/s1 |
| InChIKey | JCYZPQCZMFWISX-MRVPVSSYSA-N |
| Mol Weight | 207.29 g/mol |
| Molecular Formula | C11H13NOS |
| Exact Mass | 207.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIvMBc6Bd5B |
|---|---|
| Name | (2R)-2,5-Dimethyl-2,3-dihydro-1,5-benzothiazepin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.071785216 u |
| Formula | C11H13NOS |
| InChI | InChI=1S/C11H13NOS/c1-8-7-11(13)12(2)9-5-3-4-6-10(9)14-8/h3-6,8H,7H2,1-2H3/t8-/m1/s1 |
| InChIKey | JCYZPQCZMFWISX-MRVPVSSYSA-N |
| Molecular Weight | 207.291 g/mol |
| SMILES | [C@]1(SC=2C(N(C(C1)=O)C)=CC=CC2)(C)[H] |