| SpectraBase Compound ID | IbP3iZTgvcr |
|---|---|
| InChI | InChI=1S/C11H18O/c1-4-5-9-8-11(2,3)7-6-10(9)12/h4,9H,1,5-8H2,2-3H3/i2D3,3D3 |
| InChIKey | MSVURWYJBISSJW-XERRXZQWSA-N |
| Mol Weight | 172.3 g/mol |
| Molecular Formula | C11H12D6O |
| Exact Mass | 172.173426 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7u7J9xhEh7y |
|---|---|
| Name | 4,4-Di-trideuteromethyl-2-allylcyclohexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12D6O |
| InChI | InChI=1S/C11H18O/c1-4-5-9-8-11(2,3)7-6-10(9)12/h4,9H,1,5-8H2,2-3H3/i2D3,3D3 |
| InChIKey | MSVURWYJBISSJW-XERRXZQWSA-N |
| Molecular Weight | 172.301 g/mol |
| SMILES | C1(C(CC(CC1)(C([D])([D])[D])C([D])([D])[D])CC=C)=O |
| SPLASH | splash10-0006-9000000000-2bd6ca8fcd2dacfbf574 |
| Source of Spectrum | O-14-495-2 |
| Wiley ID | 1163224 |