| SpectraBase Compound ID | KCcVK64plCl |
|---|---|
| InChI | InChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17) |
| InChIKey | HGXKVNRBKJMVLX-UHFFFAOYSA-N |
| Mol Weight | 226.28 g/mol |
| Molecular Formula | C14H14N2O |
| Exact Mass | 226.110613 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 | AUIVigWiO2m |
|---|---|
| Name | 4-Phenyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.110613078 u |
| Formula | C14H14N2O |
| InChI | InChI=1S/C14H14N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,16,17) |
| InChIKey | HGXKVNRBKJMVLX-UHFFFAOYSA-N |
| Molecular Weight | 226.279 g/mol |
| SMILES | C1(=NNC(C=2CCCCC12)=O)C=1C=CC=CC1 |