| SpectraBase Compound ID | 4SoluKh2J4r |
|---|---|
| InChI | InChI=1S/C11H12N2O/c1-2-9-8-11(14)13(12-9)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | ITUBXYGHGAJZAX-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C11H12N2O |
| Exact Mass | 188.094963 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 | 6Oy70VDkius |
|---|---|
| Name | 3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.094963013 u |
| Formula | C11H12N2O |
| InChI | InChI=1S/C11H12N2O/c1-2-9-8-11(14)13(12-9)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | ITUBXYGHGAJZAX-UHFFFAOYSA-N |
| Molecular Weight | 188.230 g/mol |
| SMILES | CCC1=NN(C2=CC=CC=C2)C(C1)=O |