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1,1',2,2'-Tetraphenyl-(4,4'-bipyrazolidine)-3,3',5,5'-tetrone
SpectraBase Compound ID 2xZl2FjAIP4
InChI InChI=1S/C30H22N4O4/c35-27-25(28(36)32(22-15-7-2-8-16-22)31(27)21-13-5-1-6-14-21)26-29(37)33(23-17-9-3-10-18-23)34(30(26)38)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey USKAVCMWCUTATL-UHFFFAOYSA-N
Mol Weight 502.53 g/mol
Molecular Formula C30H22N4O4
Exact Mass 502.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JicWa6dIzIV
Name 1,1',2,2'-Tetraphenyl[4,4'-bipyrazolidine]-3,3',5,5'-tetrone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.164105200 u
Formula C30H22N4O4
InChI InChI=1S/C30H22N4O4/c35-27-25(28(36)32(22-15-7-2-8-16-22)31(27)21-13-5-1-6-14-21)26-29(37)33(23-17-9-3-10-18-23)34(30(26)38)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey USKAVCMWCUTATL-UHFFFAOYSA-N
Molecular Weight 502.530 g/mol
SMILES C=1C=CC=CC1N1C(=O)C(C(=O)N1C=1C=CC=CC1)C1C(=O)N(C2=CC=CC=C2)N(C1=O)C1=CC=CC=C1