| SpectraBase Compound ID | 7hOurpo8X85 |
|---|---|
| InChI | InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2/i4D,5D2 |
| InChIKey | BUAKPITZELZWNI-GRRZFFPDSA-N |
| Mol Weight | 119.61 g/mol |
| Molecular Formula | C6H6D3Cl |
| Exact Mass | 119.058108 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6YihrpsJ3dY |
|---|---|
| Name | 1-Chloro-2,6,6-trideuterocyclohexene |
| CAS Registry Number | 17616-78-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6D3Cl |
| InChI | InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2/i4D,5D2 |
| InChIKey | BUAKPITZELZWNI-GRRZFFPDSA-N |
| Molecular Weight | 119.609 g/mol |
| SMILES | C1(=C(CCCC1([D])[D])[D])Cl |
| SPLASH | splash10-001i-9000000000-026f512f627ea99c0ce0 |
| Source of Spectrum | EP-2672-0-0 |
| Wiley ID | 1125414 |