| SpectraBase Compound ID | 2XF2o99J2IS |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10(2)12(3,9-13)11-7-5-4-6-8-11/h4-10H,1-3H3/i3D3 |
| InChIKey | CCJJRXTYQSWOHW-HPRDVNIFSA-N |
| Mol Weight | 179.28 g/mol |
| Molecular Formula | C12H13D3O |
| Exact Mass | 179.138945 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2AHwoYISapW |
|---|---|
| Name | 2-(Trideuterio-methyl)-3-methyl-2-phenylbutanal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13D3O |
| InChI | InChI=1S/C12H16O/c1-10(2)12(3,9-13)11-7-5-4-6-8-11/h4-10H,1-3H3/i3D3 |
| InChIKey | CCJJRXTYQSWOHW-HPRDVNIFSA-N |
| Molecular Weight | 179.277 g/mol |
| SMILES | C(C(C(C)C)(c1ccccc1)C([D])([D])[D])=O |
| SPLASH | splash10-0udi-0900000000-313419a67dbf0dad9c51 |
| Source of Spectrum | H-85-1854-0 |
| Wiley ID | 1524368 |