| SpectraBase Compound ID | Gb9Z3H64zEe |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10?,13-/m1/s1 |
| InChIKey | AXQMCYYCOKLZPP-JLOHTSLTSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kgiy4axmFMH |
|---|---|
| Name | Theaspirone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10?,13-/m1/s1 |
| InChIKey | AXQMCYYCOKLZPP-JLOHTSLTSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | [C@]12(C(=CC(CC2(C)C)=O)C)OC(C)CC1 |
| SPLASH | splash10-0ik9-1900000000-9f24eb1f77ae52b00711 |
| Source of Spectrum | U-1994-425-17 |
| Wiley ID | 765829 |