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2-[2-(carboxymethyl)-1,6-diketo-4,9-dimethyl-pyridazino[4,5-g]phthalazin-7-yl]acetic acid
SpectraBase Compound ID 8Whp159DEY2
InChI InChI=1S/C16H14N4O6/c1-7-9-3-12-10(8(2)18-20(16(12)26)6-14(23)24)4-11(9)15(25)19(17-7)5-13(21)22/h3-4H,5-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey ZQYBPNRCEYDVOR-UHFFFAOYSA-N
Mol Weight 358.31 g/mol
Molecular Formula C16H14N4O6
Exact Mass 358.091334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rzzidtpz5b
Name 2-[2-(carboxymethyl)-1,6-diketo-4,9-dimethyl-pyridazino[4,5-g]phthalazin-7-yl]acetic acid
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Formula C16H14N4O6
InChI InChI=1S/C16H14N4O6/c1-7-9-3-12-10(8(2)18-20(16(12)26)6-14(23)24)4-11(9)15(25)19(17-7)5-13(21)22/h3-4H,5-6H2,1-2H3,(H,21,22)(H,23,24)
InChIKey ZQYBPNRCEYDVOR-UHFFFAOYSA-N
Molecular Weight 358.310 g/mol
SMILES OC(CN1C(c2c(cc3c(C(=NN(CC(=O)O)C3=O)C)c2)C(=N1)C)=O)=O
SPLASH splash10-08ml-6961000000-574254472d1b0bf06aef
Synonyms 2-[2-(carboxymethyl)-4,9-dimethyl-1,6-dioxo-7-pyridazino[4,5-g]phthalazinyl]acetic acid 2-[2-(carboxymethyl)-4,9-dimethyl-1,6-dioxo-pyridazino[4,5-g]phthalazin-7-yl]acetic acid 2-[2-(carboxymethyl)-4,9-dimethyl-1,6-dioxopyridazino[4,5-g]phthalazin-7-yl]acetic acid
Wiley ID 1453517