| SpectraBase Compound ID | Id1o2AVTDXS |
|---|---|
| InChI | InChI=1S/C7H8N2O/c8-5-1-3-7(10)4-2-6-9/h1-4H2 |
| InChIKey | RFFXUIKJDDUCGI-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C7H8N2O |
| Exact Mass | 136.063663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9ND4QQx5Hwh |
|---|---|
| Name | 4-Oxoheptanedinitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.063662885 u |
| Formula | C7H8N2O |
| InChI | InChI=1S/C7H8N2O/c8-5-1-3-7(10)4-2-6-9/h1-4H2 |
| InChIKey | RFFXUIKJDDUCGI-UHFFFAOYSA-N |
| Molecular Weight | 136.154 g/mol |
| SMILES | C(CC(CCC#N)=O)C#N |