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2-(4-Chlorobenzyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone
SpectraBase Compound ID EHRbWSgU1WH
InChI InChI=1S/C23H13ClN2O4/c24-15-8-5-13(6-9-15)12-26-21(27)16-10-7-14(11-18(16)22(26)28)20-25-19-4-2-1-3-17(19)23(29)30-20/h1-11H,12H2
InChIKey BVMHVOUIOJCDJM-UHFFFAOYSA-N
Mol Weight 416.82 g/mol
Molecular Formula C23H13ClN2O4
Exact Mass 416.056385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2293qR8e92
Name 2-(4-Chlorobenzyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone
Alternate Name(s) 2-(4-Chlorobenzyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione 2-[(4-chlorophenyl)methyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione 2-[(4-chlorophenyl)methyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione 2-[(4-chlorophenyl)methyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione
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Formula C23H13ClN2O4
InChI InChI=1S/C23H13ClN2O4/c24-15-8-5-13(6-9-15)12-26-21(27)16-10-7-14(11-18(16)22(26)28)20-25-19-4-2-1-3-17(19)23(29)30-20/h1-11H,12H2
InChIKey BVMHVOUIOJCDJM-UHFFFAOYSA-N
Molecular Weight 416.820 g/mol
SMILES c1cc2N=C(c3cc4C(N(C(c4cc3)=O)Cc3ccc(cc3)Cl)=O)OC(c2cc1)=O
SPLASH splash10-004r-8931100000-b704d7ec075f2e4b5034
Wiley ID 1436771