| SpectraBase Compound ID | GEdbAuYvhxz |
|---|---|
| InChI | InChI=1S/C14H16N2O2/c15-9-12(16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,10H2 |
| InChIKey | PBEUPNPDTAMXSG-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C14H16N2O2 |
| Exact Mass | 244.121178 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 | KQoAR93xtKd |
|---|---|
| Name | 2-(3,4-Dioxymethylenphenyl)-2-(piperidin-1-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.121177761 u |
| Formula | C14H16N2O2 |
| InChI | InChI=1S/C14H16N2O2/c15-9-12(16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,10H2 |
| InChIKey | PBEUPNPDTAMXSG-UHFFFAOYSA-N |
| Molecular Weight | 244.294 g/mol |
| SMILES | C(N1CCCCC1)(C=1C=C2OCOC2=CC1)C#N |