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5-(6-Bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-cyclohexyl-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 9ZR77uFnBO6
InChI InChI=1S/C22H17BrN2O4/c23-13-7-9-18-17(11-13)22(28)29-19(24-18)12-6-8-15-16(10-12)21(27)25(20(15)26)14-4-2-1-3-5-14/h6-11,14H,1-5H2
InChIKey QYJSEUTURGSXDA-UHFFFAOYSA-N
Mol Weight 453.29 g/mol
Molecular Formula C22H17BrN2O4
Exact Mass 452.03717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XpsTwKm3c
Name 5-(6-Bromo-4-oxo-4H-3,1-benzoxazin-2-yl)-2-cyclohexyl-1H-isoindole-1,3(2H)-dione
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Formula C22H17BrN2O4
InChI InChI=1S/C22H17BrN2O4/c23-13-7-9-18-17(11-13)22(28)29-19(24-18)12-6-8-15-16(10-12)21(27)25(20(15)26)14-4-2-1-3-5-14/h6-11,14H,1-5H2
InChIKey QYJSEUTURGSXDA-UHFFFAOYSA-N
Molecular Weight 453.292 g/mol
SMILES C1CCC(N2C(c3cc(C4=Nc5ccc(cc5C(O4)=O)Br)ccc3C2=O)=O)CC1
SPLASH splash10-0fk9-8529500000-1fa28e3694f231a6e7ea
Synonyms 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindole-1,3-dione 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindoline-1,3-quinone 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexyl-isoindoline-1,3-dione 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-cyclohexylisoindole-1,3-dione
Wiley ID 1442742