| SpectraBase Spectrum ID |
DIQqipFT8nN |
| Name |
3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843547 |
