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Gaussian Job Archive for C21H28O7
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C12H18O7.C9H10/c1-9(2)16-6-11(19-9)12(13,14)8-7(5-15-11)17-10(3,4)18-8;1-2-6-9-7-4-3-5-8-9/h7-8H,5-6H2,1-4H3;2-8H,1H3/b;6-2+/t7-,8-,11+;/m1./s1opt(calcfc,ts,noeigentest,cartesian)wB97XD/6-311G(d,p)frrwb97xd/6-311G(d,p)GenChkSCRF=CheckGuess=TCheckGeom=AllCheck#NC21H28O7C1OC(O[C@]21OC[C@@H]1[C@@H](OC(O1)(C)C)C2([O])[O])(C)C.C(=Cc1ccccc1)CInChIKey=QCZMVSIYTHOKLQ-XISZMVKWSA-Nscrf=(cpcm,sOrganic Chemistry
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