| SpectraBase Spectrum ID |
DQXwvJDZ9Vb |
| Name |
3H-Pyrazol-3-one, 2,4-dihydro-4,4-dimethyl-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/c1-11(2)8-12-13(10(11)14)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey |
CDJKTJRGELREMK-UHFFFAOYSA-N |
| Molecular Weight |
188.230 g/mol |
| SMILES |
C1(=O)N(N=CC1(C)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89946 |
