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(3Z)-1-acetyl-3-(5-benzoxy-2-bromo-4-methoxy-3-methyl-benzylidene)piperazine-2,5-quinone
SpectraBase Compound ID 7pOIAlTe1OY
InChI InChI=1S/C22H21BrN2O5/c1-13-20(23)16(9-17-22(28)25(14(2)26)11-19(27)24-17)10-18(21(13)29-3)30-12-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,24,27)/b17-9-
InChIKey NNPQHXDDXUGYIU-MFOYZWKCSA-N
Mol Weight 473.32 g/mol
Molecular Formula C22H21BrN2O5
Exact Mass 472.063385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VbW3xCwEDR
Name (3Z)-1-acetyl-3-(5-benzoxy-2-bromo-4-methoxy-3-methyl-benzylidene)piperazine-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrN2O5
InChI InChI=1S/C22H21BrN2O5/c1-13-20(23)16(9-17-22(28)25(14(2)26)11-19(27)24-17)10-18(21(13)29-3)30-12-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,24,27)/b17-9-
InChIKey NNPQHXDDXUGYIU-MFOYZWKCSA-N
Molecular Weight 473.323 g/mol
SMILES N1\C(C(N(CC1=O)C(=O)C)=O)=C/c1c(c(C)c(c(c1)OCc1ccccc1)OC)Br
SPLASH splash10-0006-9004000000-8893017ef58cde75aec2
Source of Spectrum E2-51-830-4
Synonyms (3Z)-1-acetyl-3-[(2-bromo-4-methoxy-3-methyl-5-phenylmethoxyphenyl)methylidene]piperazine-2,5-dione (3Z)-1-acetyl-3-[(5-benzyloxy-2-bromo-4-methoxy-3-methyl-phenyl)methylene]piperazine-2,5-dione (3Z)-3-[(2-bromanyl-4-methoxy-3-methyl-5-phenylmethoxy-phenyl)methylidene]-1-ethanoyl-piperazine-2,5-dione
Wiley ID 1556179