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4-(4-Nitrophenyl)-7-methyl-3,4-dihydro-pyrano[4,3-b]pyran-2,5-dione
SpectraBase Compound ID ChyhwpJyiNj
InChI InChI=1S/C15H11NO6/c1-8-6-12-14(15(18)21-8)11(7-13(17)22-12)9-2-4-10(5-3-9)16(19)20/h2-6,11H,7H2,1H3
InChIKey LIDHUNZLQKHFDO-UHFFFAOYSA-N
Mol Weight 301.25 g/mol
Molecular Formula C15H11NO6
Exact Mass 301.058637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LL35hxxtdOD
Name 4-(4-Nitrophenyl)-7-methyl-3,4-dihydro-pyrano[4,3-B]pyran-2,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 301.058637072 u
Formula C15H11NO6
InChI InChI=1S/C15H11NO6/c1-8-6-12-14(15(18)21-8)11(7-13(17)22-12)9-2-4-10(5-3-9)16(19)20/h2-6,11H,7H2,1H3
InChIKey LIDHUNZLQKHFDO-UHFFFAOYSA-N
SMILES C12=C(C(CC(O2)=O)C=2C=CC(=CC2)N(=O)=O)C(OC(=C1)C)=O