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4-Acetyl-1,2-diphenyl-3,5-pyrazolidinedione
SpectraBase Compound ID HTyeXMfRGN9
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
Mol Weight 294.31 g/mol
Molecular Formula C17H14N2O3
Exact Mass 294.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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