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3-(1H-1,3-Benzodiazol-2-yl)-4-oxophthalazine-1-carboxylic acid

View entire compound with spectra: 1 NMR

3-(1H-1,3-Benzodiazol-2-yl)-4-oxophthalazine-1-carboxylic acid
SpectraBase Compound ID DkmWPuXi4Tr
InChI InChI=1S/C16H10N4O3/c21-14-10-6-2-1-5-9(10)13(15(22)23)19-20(14)16-17-11-7-3-4-8-12(11)18-16/h1-8H,(H,17,18)(H,22,23)
InChIKey BXBIVTVLEKHQAY-UHFFFAOYSA-N
Mol Weight 306.28 g/mol
Molecular Formula C16H10N4O3
Exact Mass 306.07529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c2lELUai15
Name 3-(1H-1,3-Benzodiazol-2-yl)-4-oxophthalazine-1-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 306.075290195 u
Formula C16H10N4O3
InChI InChI=1S/C16H10N4O3/c21-14-10-6-2-1-5-9(10)13(15(22)23)19-20(14)16-17-11-7-3-4-8-12(11)18-16/h1-8H,(H,17,18)(H,22,23)
InChIKey BXBIVTVLEKHQAY-UHFFFAOYSA-N
Molecular Weight 306.281 g/mol
SMILES C(C=1C2=CC=CC=C2C(=O)N(N1)C1=NC=2C=CC=CC2N1)(O)=O