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Gaussian Job Archive for C13H15N2NaO7
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C13H9N2O4.Na.3H2O.H/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19;;;;;/h1-4H,5-6H2,(H,14,16,17);;3*1H2;InChIKey=XZLLFXQVMMBWOL-UHFFFAOYSA-NO=C1NC(=O)CC[C]1N1C(=O)c2c(C1=O)cccc2.O.O.[Na].OC13H15N2NaO7opt=(calcall,ts,noeigentest)wB97XD/6-311G(d,p)#scrf=(cpcm,solventOrganic Chemistry
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