| SpectraBase Spectrum ID |
EDK4ESVLyBh |
| Name |
4-[(E)-but-1-Enyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.141913207 u |
| Formula |
C15H18N2O |
| InChI |
InChI=1S/C15H18N2O/c1-4-5-11-14-12(2)16(3)17(15(14)18)13-9-7-6-8-10-13/h5-11H,4H2,1-3H3/b11-5+ |
| InChIKey |
CXPPEARUNDGWJQ-VZUCSPMQSA-N |
| Molecular Weight |
242.322 g/mol |
| SMILES |
C1(N(N(C(=C1\C=C\CC)C)C)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882921 |
![4-[(E)-but-1-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one](/api/spectrum/EDK4ESVLyBh/structure.png?h=300&w=458 "4-[(E)-but-1-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one")
