| SpectraBase Compound ID | Aq6Y2snPZ4L |
|---|---|
| InChI | InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H/i8D |
| InChIKey | LADCKIXFXIKHQM-BNEYPBHNSA-N |
| Mol Weight | 118.16 g/mol |
| Molecular Formula | C8H6DN |
| Exact Mass | 118.064126 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6rgDkzCCsPq |
|---|---|
| Name | 7-Cyano,7-deutero-cycloheptatriene |
| Alternate Name(s) | 7-Cyanocycloheptatriene-7-D |
| CAS Registry Number | 26902-50-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6DN |
| InChI | InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H/i8D |
| InChIKey | LADCKIXFXIKHQM-BNEYPBHNSA-N |
| Molecular Weight | 118.157 g/mol |
| SMILES | C(#N)C1(C=CC=CC=C1)[D] |
| SPLASH | splash10-014l-9700000000-02d663ecf47898df1da1 |
| Source of Spectrum | O6-0-675-0 |
| Wiley ID | 1126168 |