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2',6'-Bis(4-nitrobenzoyloxy)acetophenone
SpectraBase Compound ID 5J6yJhhWrYF
InChI InChI=1S/C22H14N2O9/c1-13(25)20-18(32-21(26)14-5-9-16(10-6-14)23(28)29)3-2-4-19(20)33-22(27)15-7-11-17(12-8-15)24(30)31/h2-12H,1H3
InChIKey OOXJBHIZTRGSDJ-UHFFFAOYSA-N
Mol Weight 450.36 g/mol
Molecular Formula C22H14N2O9
Exact Mass 450.06993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X0FC4Gqrm7
Name 2',6'-Bis(4-nitrobenzoyloxy)acetophenone
Alternate Name(s) 2-Acetyl-3-[(4-nitrobenzoyl)oxy]phenyl 4-nitrobenzoate 4-Nitrobenzoic acid[2-acetyl-3-(4-nitrobenzoyl)oxy-phenyl]ester 4-Nitrobenzoic acid[2-acetyl-3-[(4-nitrophenyl)-oxomethoxy]phenyl]ester [2-ethanoyl-3-(4-nitrophenyl)carbonyloxy-phenyl]4-nitrobenzoate 4-Nitrobenzoic acid [2-acetyl-3-[(4-nitrophenyl)-oxomethoxy]phenyl] ester [2-acetyl-3-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate [2-acetyl-3-(4-nitrobenzoyl)oxy-phenyl] 4-nitrobenzoate [2-ethanoyl-3-(4-nitrophenyl)carbonyloxy-phenyl] 4-nitrobenzoate
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Formula C22H14N2O9
InChI InChI=1S/C22H14N2O9/c1-13(25)20-18(32-21(26)14-5-9-16(10-6-14)23(28)29)3-2-4-19(20)33-22(27)15-7-11-17(12-8-15)24(30)31/h2-12H,1H3
InChIKey OOXJBHIZTRGSDJ-UHFFFAOYSA-N
Molecular Weight 450.359 g/mol
SMILES C(C)(=O)c1c(cccc1OC(c1ccc(cc1)N(=O)=O)=O)OC(c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0udi-0900000000-ba6b4bbae6ffc736a027
Source of Spectrum U1-2002-3810-1
Wiley ID 1523477