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Benzoic acid, 4-(3,4-dihydro-4-oxo-1-phthalazinyl)-, butyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-(3,4-dihydro-4-oxo-1-phthalazinyl)-, butyl ester
SpectraBase Compound ID C0uTbK675CX
InChI InChI=1S/C19H18N2O3/c1-2-3-12-24-19(23)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)18(22)21-20-17/h4-11H,2-3,12H2,1H3,(H,21,22)
InChIKey PQZFAIWYJDDUDQ-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C19H18N2O3
Exact Mass 322.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40yH8kWiMz2
Name Benzoic acid, 4-(3,4-dihydro-4-oxo-1-phthalazinyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.131742445 u
Formula C19H18N2O3
InChI InChI=1S/C19H18N2O3/c1-2-3-12-24-19(23)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)18(22)21-20-17/h4-11H,2-3,12H2,1H3,(H,21,22)
InChIKey PQZFAIWYJDDUDQ-UHFFFAOYSA-N
Molecular Weight 322.364 g/mol
SMILES N1C(C=2C=CC=CC2C(=N1)C1=CC=C(C(=O)OCCCC)C=C1)=O