| SpectraBase Spectrum ID |
4nkyX1CcUg |
| Name |
5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.089877632 u |
| Formula |
C12H12N2O2 |
| InChI |
InChI=1S/C12H12N2O2/c1-9-8-12(16)14(13(9)10(2)15)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChIKey |
WLFHXOPKJLSLEJ-UHFFFAOYSA-N |
| Molecular Weight |
216.240 g/mol |
| SMILES |
C1(=O)N(N(C(C)=O)C(=C1)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82396 |
