SpectraBase Spectrum ID |
I7OjnDI4c6P |
Name |
4-Acetyl-1,2-diphenyl-3,5-pyrazolidinedione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.100442316 u |
Formula |
C17H14N2O3 |
InChI |
InChI=1S/C17H14N2O3/c1-12(20)15-16(21)18(13-8-4-2-5-9-13)19(17(15)22)14-10-6-3-7-11-14/h2-11,15H,1H3 |
InChIKey |
LLHMCBYVLRDULX-UHFFFAOYSA-N |
Molecular Weight |
294.310 g/mol |
SMILES |
C1(N(N(C(C1C(=O)C)=O)C1=CC=CC=C1)C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970361 |