| SpectraBase Compound ID | D6w2lIxYfox |
|---|---|
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2/i5D2,6D2 |
| InChIKey | CGZZMOTZOONQIA-NZLXMSDQSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H8D4O |
| Exact Mass | 116.113922 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CnhUplkWSQG |
|---|---|
| Name | Cycloheptanone-2,2,7,7-D4 |
| CAS Registry Number | 17616-76-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8D4O |
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2/i5D2,6D2 |
| InChIKey | CGZZMOTZOONQIA-NZLXMSDQSA-N |
| Molecular Weight | 116.196 g/mol |
| SMILES | C1(=O)C(CCCCC1([D])[D])([D])[D] |
| SPLASH | splash10-05fu-9000000000-e5d7a59fc146915aed3d |
| Source of Spectrum | A-1-727-1 |
| Wiley ID | 1123371 |