| SpectraBase Compound ID | DRIPOVSDcx8 |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3/i2D2/t6-/m1/s1 |
| InChIKey | VGVHNLRUAMRIEW-KNFMSPMWSA-N |
| Mol Weight | 114.18 g/mol |
| Molecular Formula | C7H10D2O |
| Exact Mass | 114.101368 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BezpmeZ1DGv |
|---|---|
| Name | (4S)-3,3-Dideuterio-4-methylcyclohexanone |
| CAS Registry Number | 73687-65-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10D2O |
| InChI | InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3/i2D2/t6-/m1/s1 |
| InChIKey | VGVHNLRUAMRIEW-KNFMSPMWSA-N |
| Molecular Weight | 114.184 g/mol |
| SMILES | C1(=O)CC[C@@](C(C1)([D])[D])(C)[H] |
| SPLASH | splash10-0a4i-9300000000-3778061889277593f6b4 |
| Source of Spectrum | J-45-2683-0 |
| Wiley ID | 1123369 |