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4-{2,4-bis[(2-fluorobenzyl)oxy]benzylidene}-1-(4-fluorophenyl)-3,5-pyrazolidinedione
SpectraBase Compound ID AFzxj35HbGJ
InChI InChI=1S/C30H21F3N2O4/c31-22-10-12-23(13-11-22)35-30(37)25(29(36)34-35)15-19-9-14-24(38-17-20-5-1-3-7-26(20)32)16-28(19)39-18-21-6-2-4-8-27(21)33/h1-16H,17-18H2,(H,34,36)/b25-15+
InChIKey PWNNUPUIWCNEBZ-MFKUBSTISA-N
Mol Weight 530.5 g/mol
Molecular Formula C30H21F3N2O4
Exact Mass 530.145342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yWBd9Xu77t
Name 4-{2,4-bis[(2-fluorobenzyl)oxy]benzylidene}-1-(4-fluorophenyl)-3,5-pyrazolidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H21F3N2O4
InChI InChI=1S/C30H21F3N2O4/c31-22-10-12-23(13-11-22)35-30(37)25(29(36)34-35)15-19-9-14-24(38-17-20-5-1-3-7-26(20)32)16-28(19)39-18-21-6-2-4-8-27(21)33/h1-16H,17-18H2,(H,34,36)/b25-15+
InChIKey PWNNUPUIWCNEBZ-MFKUBSTISA-N
Molecular Weight 530.503 g/mol
SMILES N1N(C(\C(C1=O)=C/c1c(cc(cc1)OCc1c(F)cccc1)OCc1c(F)cccc1)=O)c1ccc(cc1)F
SPLASH splash10-0a4i-2910000000-113971b1af04e2d3bf85
Wiley ID 1454762