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Gaussian Job Archive for C18H23NO3

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posted on 2013-10-05, 22:17 authored by Nicholas MasonNicholas Mason
Archive of work produced using the resources of the Imperial College High Performance Computing Service.

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    InChI=1S/C11H16NO2.C7H7O/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;1-6,8H/t10-;/m0./s1InChIKey=ASDIUXRTGCHHNU-PPHPATTJSA-N[O]C(=O)[C@@H]1CCCN1[C]1[CH]CCCC1.[CH](O)c1ccccc1C18H23NO3b3lyp/6-31G*scrf=(cpcm,solvent=dimethylsulfoxide)Organic Chemistry

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