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4-Nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

View entire compound with spectra: 1 NMR

4-Nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
SpectraBase Compound ID LBVHZ1dzdz1
InChI InChI=1S/C16H10N2O6/c19-14(24-11-7-5-10(6-8-11)18(22)23)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8H,9H2
InChIKey FSCDNNJLCIKUHL-UHFFFAOYSA-N
Mol Weight 326.26 g/mol
Molecular Formula C16H10N2O6
Exact Mass 326.053886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LviEBDEDnCQ
Name 4-Nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 326.053886044 u
Formula C16H10N2O6
InChI InChI=1S/C16H10N2O6/c19-14(24-11-7-5-10(6-8-11)18(22)23)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8H,9H2
InChIKey FSCDNNJLCIKUHL-UHFFFAOYSA-N
Molecular Weight 326.264 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)OC(=O)CN1C(=O)C2=C(C1=O)C=CC=C2