| SpectraBase Compound ID | 3Hvl4grtBki |
|---|---|
| InChI | InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2/b3-1+/i3D |
| InChIKey | ZQOHAQBXINVHHC-HXSJVXSKSA-N |
| Mol Weight | 107.13 g/mol |
| Molecular Formula | C6H5DN2 |
| Exact Mass | 107.059375 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bmds0DlYYbJ |
|---|---|
| Name | trans-1,4-Dicyanobut-1-ene-D1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5DN2 |
| InChI | InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2/b3-1+/i3D |
| InChIKey | ZQOHAQBXINVHHC-HXSJVXSKSA-N |
| Molecular Weight | 107.134 g/mol |
| SMILES | C(#N)\C(=C\CCC#N)[D] |
| SPLASH | splash10-014i-9100000000-c8e3de649f619218de7f |
| Source of Spectrum | AJ-71-1414-0 |
| Wiley ID | 774500 |