| SpectraBase Compound ID | LB1P9sGNYci |
|---|---|
| InChI | InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h1-5H2/i1D2 |
| InChIKey | VYTPDQSCOXJDJM-DICFDUPASA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H8D2O |
| Exact Mass | 112.085718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ExdtEA3PK4j |
|---|---|
| Name | 2-(Dideuteriomethylene)cyclohexanone |
| CAS Registry Number | 137518-37-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8D2O |
| InChI | InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h1-5H2/i1D2 |
| InChIKey | VYTPDQSCOXJDJM-DICFDUPASA-N |
| Molecular Weight | 112.168 g/mol |
| SMILES | C1(C(=O)CCCC1)=C([D])[D] |
| SPLASH | splash10-02t9-9200000000-5d93de5aa98271e79da3 |
| Source of Spectrum | J-57-26-4 |
| Wiley ID | 1122563 |