| SpectraBase Spectrum ID |
Lli6UIEOwEI |
| Name |
[(5-oxo-3-Phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]malononitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.085460957 u |
| Formula |
C13H10N4O |
| InChI |
InChI=1S/C13H10N4O/c14-7-9(8-15)6-11-12(16-17-13(11)18)10-4-2-1-3-5-10/h1-5,9,11H,6H2,(H,17,18) |
| InChIKey |
BESSZJQIZUSUHX-UHFFFAOYSA-N |
| Molecular Weight |
238.250 g/mol |
| SMILES |
C(C(C#N)CC1C(=NNC1=O)C=1C=CC=CC1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968271 |
![[(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]malononitrile](/api/spectrum/Lli6UIEOwEI/structure.png?h=300&w=458 "[(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene]malononitrile")
