Mrv1652309052213202D 14 14 0 0 0 0 999 V2000 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 2 0 0 0 0 5 14 1 0 0 0 0 M END > NP0212620 > NP-MRD > CC(C)(C)C1=CC=C(CCCO)C=C1 > InChI=1S/C13H20O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9,14H,4-5,10H2,1-3H3 > QFIGRGCEUZQJNG-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.983838711988856 > 1 > 1 > 0 > 1 > 3-(4-tert-butylphenyl)propan-1-ol > 3.4841821893333336 > 0 > 1 > 0 > 15.963385509709923 > -2.3774151780528783 > 20.23 > 60.89580000000001 > 4 > 1 > 3-(4-tert-butylphenyl)propan-1-ol > 1 > NP0212620 > 3-(4-tert-butylphenyl)propan-1-ol $$$$