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3,4-Dihydro-3-(p-methoxyphenyl)-4-oxo-1-phthalazinecarboxylic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

3,4-Dihydro-3-(p-methoxyphenyl)-4-oxo-1-phthalazinecarboxylic acid, methyl ester
SpectraBase Compound ID Ex0qiKGEiUq
InChI InChI=1S/C17H14N2O4/c1-22-12-9-7-11(8-10-12)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)23-2/h3-10H,1-2H3
InChIKey PMHQLXRELUFKBV-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C17H14N2O4
Exact Mass 310.095357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16ROWQhMxgJ
Name 3,4-Dihydro-3-(p-methoxyphenyl)-4-oxo-1-phthalazinecarboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.095356935 u
Formula C17H14N2O4
InChI InChI=1S/C17H14N2O4/c1-22-12-9-7-11(8-10-12)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)23-2/h3-10H,1-2H3
InChIKey PMHQLXRELUFKBV-UHFFFAOYSA-N
Molecular Weight 310.309 g/mol
SMILES COC1=CC=C(N2C(C=3C=CC=CC3C(C(OC)=O)=N2)=O)C=C1