| SpectraBase Spectrum ID |
CrfX8YqerHU |
| Name |
5-Amino-4-[(3-oxo-5-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.091274612 u |
| Formula |
C13H11N5O2 |
| InChI |
InChI=1S/C13H11N5O2/c14-11-9(13(20)18-16-11)6-8-10(15-17-12(8)19)7-4-2-1-3-5-7/h1-6,8H,(H2,14,16)(H,17,19)(H,18,20)/b9-6+ |
| InChIKey |
VQWSCHSFTGKVQT-RMKNXTFCSA-N |
| SMILES |
C1(NN=C(\C1=C\C1C(NN=C1C=1C=CC=CC1)=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94015 |
![5-Amino-4-[(3-oxo-5-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one](/api/spectrum/CrfX8YqerHU/structure.png?h=300&w=458 "5-Amino-4-[(3-oxo-5-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one")
