| SpectraBase Spectrum ID |
3GUlrZkI5Hz |
| Name |
2-(2-Chloro-N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)acetamido)-2-methylpropionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.130218249 u |
| Formula |
C17H21ClN4O3 |
| InChI |
InChI=1S/C17H21ClN4O3/c1-11-14(21(13(23)10-18)17(2,3)16(19)25)15(24)22(20(11)4)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H2,19,25) |
| InChIKey |
TWCKMNPAOPVEDI-UHFFFAOYSA-N |
| Molecular Weight |
364.833 g/mol |
| SMILES |
C=1(N(N(C(C1N(C(CCl)=O)C(C)(C)C(N)=O)=O)C1=CC=CC=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843773 |
