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5-[(4-Methoxy-2-nitro-anilino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID 8VbJH7zzhY2
InChI InChI=1S/C14H14N2O7/c1-14(2)22-12(17)9(13(18)23-14)7-15-10-5-4-8(21-3)6-11(10)16(19)20/h4-7,15H,1-3H3
InChIKey FIZHGMFLGHIDNK-UHFFFAOYSA-N
Mol Weight 322.27 g/mol
Molecular Formula C14H14N2O7
Exact Mass 322.080101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ey77jDchtj
Name 5-[(4-Methoxy-2-nitro-anilino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 322.080100792 u
Formula C14H14N2O7
InChI InChI=1S/C14H14N2O7/c1-14(2)22-12(17)9(13(18)23-14)7-15-10-5-4-8(21-3)6-11(10)16(19)20/h4-7,15H,1-3H3
InChIKey FIZHGMFLGHIDNK-UHFFFAOYSA-N
Molecular Weight 322.273 g/mol
SMILES C1(C(OC(OC1=O)(C)C)=O)=CNC1=C(N(=O)=O)C=C(C=C1)OC