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(3Z)-1-acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methyl-benzylidene)piperazine-2,5-quinone
SpectraBase Compound ID KoAT6MJn7tX
InChI InChI=1S/C18H21BrN2O5/c1-9(2)26-14-7-12(16(19)10(3)17(14)25-5)6-13-18(24)21(11(4)22)8-15(23)20-13/h6-7,9H,8H2,1-5H3,(H,20,23)/b13-6-
InChIKey WMHNHEDFHIAZPV-MLPAPPSSSA-N
Mol Weight 425.28 g/mol
Molecular Formula C18H21BrN2O5
Exact Mass 424.063385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4DLdzXWKJh
Name (3Z)-1-acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methyl-benzylidene)piperazine-2,5-quinone
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Formula C18H21BrN2O5
InChI InChI=1S/C18H21BrN2O5/c1-9(2)26-14-7-12(16(19)10(3)17(14)25-5)6-13-18(24)21(11(4)22)8-15(23)20-13/h6-7,9H,8H2,1-5H3,(H,20,23)/b13-6-
InChIKey WMHNHEDFHIAZPV-MLPAPPSSSA-N
Molecular Weight 425.279 g/mol
SMILES N1C(CN(C(\C1=C/c1c(c(c(c(c1)OC(C)C)OC)C)Br)=O)C(=O)C)=O
SPLASH splash10-0ika-0089100000-3753af0d297b5b2fb735
Source of Spectrum E2-48-1552-9
Synonyms (3Z)-1-acetyl-3-[(2-bromo-4-methoxy-3-methyl-5-propan-2-yloxyphenyl)methylidene]piperazine-2,5-dione (3Z)-1-acetyl-3-[(2-bromo-5-isopropoxy-4-methoxy-3-methyl-phenyl)methylene]piperazine-2,5-dione (3Z)-3-[(2-bromanyl-4-methoxy-3-methyl-5-propan-2-yloxy-phenyl)methylidene]-1-ethanoyl-piperazine-2,5-dione
Wiley ID 1555336