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Gaussian Job Archive for C18H25NO4
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C11H17NO2.C7H6O.H2O/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9;8-6-7-4-2-1-3-5-7;/h5,10H,1-4,6-8H2,(H,13,14);1-6H;1H2/t10-;;/m0../s1b3lyp/TZVPopt=(CalcFC,TS,NoEigenTest,cartesian,Tight)FreqRB3LYP/TZVPGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#PC18H25NO4[CH]([O])c1ccccc1.C1C[C]([CH]CC1)N1[C@@H](CCC1)C(=O)O.OInChIKey=MVLBIWBELNPCTB-XRIOVQLTSA-Nint=griOrganic Chemistry
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