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[3-Methyl-2-(4-nitro-phenyl)-4-oxo-1,2,3,4-tetrahydro-phthalazin-1-yl]-acetic acid, methyl ester
SpectraBase Compound ID KpJZaZp4g6r
InChI InChI=1S/C18H17N3O5/c1-19-18(23)15-6-4-3-5-14(15)16(11-17(22)26-2)20(19)12-7-9-13(10-8-12)21(24)25/h3-10,16H,11H2,1-2H3
InChIKey RFPRDFHUIVWULJ-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C18H17N3O5
Exact Mass 355.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fts47CdShrl
Name [3-Methyl-2-(4-nitro-phenyl)-4-oxo-1,2,3,4-tetrahydro-phthalazin-1-yl]-acetic acid, methyl ester
Alternate Name(s) Methyl [3-methyl-2-(4-nitrophenyl)-4-oxo-1,2,3,4-tetrahydro-1-phthalazinyl]acetate 2-[3-methyl-2-(4-nitrophenyl)-4-oxo-1H-phthalazin-1-yl]acetic acid methyl ester 2-[4-keto-3-methyl-2-(4-nitrophenyl)-1H-phthalazin-1-yl]acetic acid methyl ester Methyl 2-[3-methyl-2-(4-nitrophenyl)-4-oxo-1H-phthalazin-1-yl]acetate Methyl 2-[3-methyl-2-(4-nitrophenyl)-4-oxidanylidene-1H-phthalazin-1-yl]ethanoate
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Formula C18H17N3O5
InChI InChI=1S/C18H17N3O5/c1-19-18(23)15-6-4-3-5-14(15)16(11-17(22)26-2)20(19)12-7-9-13(10-8-12)21(24)25/h3-10,16H,11H2,1-2H3
InChIKey RFPRDFHUIVWULJ-UHFFFAOYSA-N
Molecular Weight 355.350 g/mol
SMILES C1(N(N(C(c2c1cccc2)=O)C)c1ccc(N(=O)=O)cc1)CC(=O)OC
SPLASH splash10-001i-4491000000-826255c9b393d294c5be
Source of Spectrum CM-1999-18259-0
Wiley ID 480613