| SpectraBase Compound ID | 8RQo9y8PJff |
|---|---|
| InChI | InChI=1S/C12H14OS/c1-9-7-12(14)11(8-13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/i7D2 |
| InChIKey | ONVFORMQUNVHFD-RJSZUWSASA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H122D2OS |
| Exact Mass | 208.08909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7fM3dfNnVBD |
|---|---|
| Name | 3-Phenyl-5,5-dideutero-6-methyl-tetrahydro-4-thiopyrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12D2OS |
| InChI | InChI=1S/C12H14OS/c1-9-7-12(14)11(8-13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/i7D2 |
| InChIKey | ONVFORMQUNVHFD-RJSZUWSASA-N |
| Molecular Weight | 208.315 g/mol |
| SMILES | C1(C(COC(C1([2D])[2D])C)c1ccccc1)=S |
| SPLASH | splash10-0w29-6910000000-c4a64fc9734ace6621f6 |
| Source of Spectrum | HC-17-453-0 |
| Wiley ID | 1204339 |