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Gaussian Job Archive for C17H28O4
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C14H16O.3CH4O/c1-14(15)8-10-6-7-11(9-14)13-5-3-2-4-12(10)13;3*1-2/h2-7,10-11,15H,8-9H2,1H3;3*2H,1H3/t10-,11+,14+;;;#geom=connectivityscrf=(cpcm,solvent=methanol)B3LYPoptFreqRB3LYP/TZVPGenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC17H28O4c12[C@H]3C=C[C@@H](c1cccc2)C[C@@](C3)(O)C.OC.OC.OCInChIKey=OOZZCZROSDUFJP-KOPNSOJJSA-NEmpiOrganic Chemistry
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