| SpectraBase Compound ID | 5o30JMa6Fl0 |
|---|---|
| InChI | InChI=1S/C12H16N2O/c13-8-2-6-10-4-1-5-11(12(10)15)7-3-9-14/h10-11H,1-7H2 |
| InChIKey | AWHFKTMJYGMAKQ-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0SfAy6UdEp |
|---|---|
| Name | 2-oxo-1,3-Cyclohexanedipropionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c13-8-2-6-10-4-1-5-11(12(10)15)7-3-9-14/h10-11H,1-7H2 |
| InChIKey | AWHFKTMJYGMAKQ-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C1C(C(C(CC1)CCC#N)=O)CCC#N |