SpectraBase Compound ID | Gb9Z3H64zEe |
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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 |
SpectraBase Spectrum ID | Kgiy4axmFMH |
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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 |