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Gaussian Job Archive for C13H14N2O6
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C13H10N2O4.2H2O/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;;/h1-4,9H,5-6H2,(H,14,16,17);2*1H2/t9-;;/m1../s1InChIKey=ILCGGCCGBLBOTA-KLQYNRQASA-NO=C1NC(=O)CC[C@H]1N1C(=O)c2c(C1=O)cccc2.O.OC13H14N2O6FreqwB97XD/6-311G(d,p)scrf=(cpcm,solvent=water)#integral=grid=ulOrganic Chemistry
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