| SpectraBase Spectrum ID |
D04J7DpILGU |
| Name |
(Z)-4-((4-Aminophenyl)imino)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.116761086 u |
| Formula |
C16H14N4O |
| InChI |
InChI=1S/C16H14N4O/c1-11-15(18-13-9-7-12(17)8-10-13)16(21)20(19-11)14-5-3-2-4-6-14/h2-10H,17H2,1H3/b18-15- |
| InChIKey |
KDAHIMLQGYXKLI-SDXDJHTJSA-N |
| SMILES |
CC1=NN(C(=O)\C1=N\C1=CC=C(N)C=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898972 |