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3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid

View entire compound with spectra: 1 NMR

3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid
SpectraBase Compound ID 9ZDoIPrtn7R
InChI InChI=1S/C19H11NO4/c21-17-14-8-2-4-11-5-3-9-15(16(11)14)18(22)20(17)13-7-1-6-12(10-13)19(23)24/h1-10H,(H,23,24)
InChIKey YGIZOHPUZJDOSJ-UHFFFAOYSA-N
Mol Weight 317.3 g/mol
Molecular Formula C19H11NO4
Exact Mass 317.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8cUVUOLR5v
Name 3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 317.068807834 u
Formula C19H11NO4
InChI InChI=1S/C19H11NO4/c21-17-14-8-2-4-11-5-3-9-15(16(11)14)18(22)20(17)13-7-1-6-12(10-13)19(23)24/h1-10H,(H,23,24)
InChIKey YGIZOHPUZJDOSJ-UHFFFAOYSA-N
Molecular Weight 317.300 g/mol
SMILES C12=CC=CC3=C2C(=CC=C3)C(N(C1=O)C1=CC(=CC=C1)C(O)=O)=O