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3,5-pyrazolidinedione, 4-[[5-bromo-2-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylene]-1-phenyl-, (4E)-
SpectraBase Compound ID OxG2GmURhu
InChI InChI=1S/C26H23BrN2O5/c27-20-11-12-24(34-16-14-32-13-15-33-22-9-5-2-6-10-22)19(17-20)18-23-25(30)28-29(26(23)31)21-7-3-1-4-8-21/h1-12,17-18H,13-16H2,(H,28,30)/b23-18+
InChIKey FVONUUUPEAIIHA-PTGBLXJZSA-N
Mol Weight 523.38 g/mol
Molecular Formula C26H23BrN2O5
Exact Mass 522.079035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VcXKau95Z8
Name 3,5-Pyrazolidinedione, 4-[[5-bromo-2-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylene]-1-phenyl-, (4E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.079034844 u
Formula C26H23BrN2O5
InChI InChI=1S/C26H23BrN2O5/c27-20-11-12-24(34-16-14-32-13-15-33-22-9-5-2-6-10-22)19(17-20)18-23-25(30)28-29(26(23)31)21-7-3-1-4-8-21/h1-12,17-18H,13-16H2,(H,28,30)/b23-18+
InChIKey FVONUUUPEAIIHA-PTGBLXJZSA-N
Molecular Weight 523.383 g/mol
SMILES N1N(C(\C(C1=O)=C/C=1C(=CC=C(C1)Br)OCCOCCOC1=CC=CC=C1)=O)C1=CC=CC=C1