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(E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)-2-oxiranyl]-2-propen-1-one
SpectraBase Compound ID 7zSCV4FsbIX
InChI InChI=1S/C17H12N2O6/c20-15(10-3-11-1-6-13(7-2-11)18(21)22)17-16(25-17)12-4-8-14(9-5-12)19(23)24/h1-10,16-17H/b10-3+
InChIKey KTFKQLNWUAKWAU-XCVCLJGOSA-N
Mol Weight 340.29 g/mol
Molecular Formula C17H12N2O6
Exact Mass 340.069536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oMB4ohyMqc
Name (E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)-2-oxiranyl]-2-propen-1-one
Alternate Name(s) (E)-3-(4-nitrophenyl)-1-[3-(4-nitrophenyl)oxiran-2-yl]prop-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H12N2O6
InChI InChI=1S/C17H12N2O6/c20-15(10-3-11-1-6-13(7-2-11)18(21)22)17-16(25-17)12-4-8-14(9-5-12)19(23)24/h1-10,16-17H/b10-3+
InChIKey KTFKQLNWUAKWAU-XCVCLJGOSA-N
Molecular Weight 340.291 g/mol
SMILES C1(C(C(\C=C\c2ccc(cc2)N(=O)=O)=O)O1)c1ccc(cc1)N(=O)=O
SPLASH splash10-004i-0901000000-628336a9b0e9454ad56a
Source of Spectrum SO-0-125-5
Wiley ID 1540483