| SpectraBase Compound ID | 7l6pTZZH3NO |
|---|---|
| InChI | InChI=1S/C7H10N2/c1-7(6-9)4-2-3-5-8/h7H,2-4H2,1H3 |
| InChIKey | SBDSWNLTVOAIPQ-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C7H10N2 |
| Exact Mass | 122.084398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FWSZ5SII29 |
|---|---|
| Name | Hexanedinitrile, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.084398330 u |
| Formula | C7H10N2 |
| InChI | InChI=1S/C7H10N2/c1-7(6-9)4-2-3-5-8/h7H,2-4H2,1H3 |
| InChIKey | SBDSWNLTVOAIPQ-UHFFFAOYSA-N |
| Molecular Weight | 122.171 g/mol |
| SMILES | C(C(C#N)C)CCC#N |