![3-benzyl-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione](/api/spectrum/DVKqCCOLBDE/structure.png?h=300&w=458 "3-benzyl-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione")
| SpectraBase Compound ID | HIAnXXqTAoy |
|---|---|
| InChI | InChI=1S/C13H13NO2S/c15-12-10-6-7-11(17-10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChIKey | CHFVTXYQKRPJRX-UHFFFAOYSA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C13H13NO2S |
| Exact Mass | 247.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVKqCCOLBDE |
|---|---|
| Name | |
| CAS Registry Number | 16311-91-4 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H13NO2S |
| InChI | InChI=1S/C13H13NO2S/c15-12-10-6-7-11(17-10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChIKey | CHFVTXYQKRPJRX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |