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2,5-Pyrrolidinedione, 1-(4-methylphenyl)-3-[(4-nitrophenyl)methylene]-, (E)-
SpectraBase Compound ID JLSQMIpV5HY
InChI InChI=1S/C18H14N2O4/c1-12-2-6-15(7-3-12)19-17(21)11-14(18(19)22)10-13-4-8-16(9-5-13)20(23)24/h2-10H,11H2,1H3/b14-10+
InChIKey BTFJXGMFXQYAMY-GXDHUFHOSA-N
Mol Weight 322.32 g/mol
Molecular Formula C18H14N2O4
Exact Mass 322.095357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1dZwrA2fE1k
Name 2,5-Pyrrolidinedione, 1-(4-methylphenyl)-3-[(4-nitrophenyl)methylene]-, (E)-
Comments Computed using HOSE algorithm
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Exact Mass 322.095356935 u
Formula C18H14N2O4
InChI InChI=1S/C18H14N2O4/c1-12-2-6-15(7-3-12)19-17(21)11-14(18(19)22)10-13-4-8-16(9-5-13)20(23)24/h2-10H,11H2,1H3/b14-10+
InChIKey BTFJXGMFXQYAMY-GXDHUFHOSA-N
Molecular Weight 322.320 g/mol
SMILES C1(N(C(C\C1=C\C=1C=CC(N(=O)=O)=CC1)=O)C=1C=CC(=CC1)C)=O