| SpectraBase Compound ID | AArCDOB24bm |
|---|---|
| InChI | InChI=1S/C6H8O/c1-2-5-3-4-6(5)7/h2,5H,1,3-4H2/i1D2,2D |
| InChIKey | PMKYQINGRWZIDG-FUDHJZNOSA-N |
| Mol Weight | 99.15 g/mol |
| Molecular Formula | C6H5D3O |
| Exact Mass | 99.076345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LNJfhdlyHB8 |
|---|---|
| Name | 2-(1',2',2'-Trideuterioethenyl)cyclobutanone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5D3O |
| InChI | InChI=1S/C6H8O/c1-2-5-3-4-6(5)7/h2,5H,1,3-4H2/i1D2,2D |
| InChIKey | PMKYQINGRWZIDG-FUDHJZNOSA-N |
| Molecular Weight | 99.147 g/mol |
| SMILES | C1(C(C(=C([D])[D])[D])CC1)=O |
| SPLASH | splash10-0a4i-9000000000-7c5dc056708752dcb397 |
| Source of Spectrum | C-116-6127-0 |
| Wiley ID | 1118217 |