| SpectraBase Spectrum ID |
H2qzB8JvHgf |
| Name |
5,5-Dimethyl-2-phenylacetylpyrazolidin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.121177761 u |
| Formula |
C13H16N2O2 |
| InChI |
InChI=1S/C13H16N2O2/c1-13(2)9-12(17)15(14-13)11(16)8-10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3 |
| InChIKey |
KXOLPCMDMUBEPJ-UHFFFAOYSA-N |
| Molecular Weight |
232.283 g/mol |
| SMILES |
C1(N(NC(C1)(C)C)C(CC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83515 |
