| SpectraBase Compound ID | FwtGE7yB5MP |
|---|---|
| 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 |
| InChIKey | AXQMCYYCOKLZPP-UHFFFAOYSA-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 | 5WJ0nuX2f9x |
|---|---|
| Name | Theaspiranone |
| 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 |
| InChIKey | AXQMCYYCOKLZPP-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1C(C)(C)C2(CCC(C)O2)C(C)=CC1=O |
| SPLASH | splash10-0w29-1900000000-0ac48d72e83b1e042088 |
| Source of Spectrum | CN101143810B |
| Wiley ID | 1841424 |