| SpectraBase Spectrum ID |
7apeft6MP13 |
| Name |
1-(5-Keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)butane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.100442316 u |
| Formula |
C14H14N2O3 |
| InChI |
InChI=1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3 |
| InChIKey |
WNGRXUQETAVNOC-UHFFFAOYSA-N |
| Molecular Weight |
258.277 g/mol |
| SMILES |
CC(=O)CC(=O)C1=C(C)NN(C1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903495 |
