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2-(3-Chloro-4-hydroxy-5-nitro-benzyl)isoindoline-1,3-quinone
SpectraBase Compound ID KkqgRbcm5Y5
InChI InChI=1S/C15H9ClN2O5/c16-11-5-8(6-12(13(11)19)18(22)23)7-17-14(20)9-3-1-2-4-10(9)15(17)21/h1-6,19H,7H2
InChIKey YLGRPJXMEIXCFZ-UHFFFAOYSA-N
Mol Weight 332.7 g/mol
Molecular Formula C15H9ClN2O5
Exact Mass 332.019999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d0INueKyv2
Name 2-(3-Chloro-4-hydroxy-5-nitro-benzyl)isoindoline-1,3-quinone
Alternate Name(s) 2-(3-Chloro-4-hydroxy-5-nitrobenzyl)-1H-isoindole-1,3(2H)-dione 2-[(3-chloranyl-5-nitro-4-oxidanyl-phenyl)methyl]isoindole-1,3-dione 2-[(3-chloro-4-hydroxy-5-nitro-phenyl)methyl]isoindoline-1,3-dione 2-[(3-chloro-4-hydroxy-5-nitrophenyl)methyl]isoindole-1,3-dione
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Formula C15H9ClN2O5
InChI InChI=1S/C15H9ClN2O5/c16-11-5-8(6-12(13(11)19)18(22)23)7-17-14(20)9-3-1-2-4-10(9)15(17)21/h1-6,19H,7H2
InChIKey YLGRPJXMEIXCFZ-UHFFFAOYSA-N
Molecular Weight 332.699 g/mol
SMILES Oc1c(cc(cc1N(=O)=O)CN1C(c2ccccc2C1=O)=O)Cl
SPLASH splash10-0h00-9622000000-496a87545cb9b55ed19f
Wiley ID 1444235