| SpectraBase Compound ID | DRetqSPBI7i |
|---|---|
| InChI | InChI=1S/C13H20N2O/c1-3-4-7-13(12(2)16,8-5-10-14)9-6-11-15/h3-9H2,1-2H3 |
| InChIKey | JXYZLVAZJYJFHB-UHFFFAOYSA-N |
| Mol Weight | 220.32 g/mol |
| Molecular Formula | C13H20N2O |
| Exact Mass | 220.157563 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 | Ez9NWQDEIIO |
|---|---|
| Name | 3,3-di(2-Cyanoethyl)-2-oxoheptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.157563271 u |
| Formula | C13H20N2O |
| InChI | InChI=1S/C13H20N2O/c1-3-4-7-13(12(2)16,8-5-10-14)9-6-11-15/h3-9H2,1-2H3 |
| InChIKey | JXYZLVAZJYJFHB-UHFFFAOYSA-N |
| Molecular Weight | 220.316 g/mol |
| SMILES | C(#N)CCC(C(=O)C)(CCC#N)CCCC |