Mrv1652304272018512D 16 17 0 0 0 0 999 V2000 -1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 M END > CDB005748 > CDB > CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1 > InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 > QBDSZLJBMIMQRS-UHFFFAOYSA-N > C15H16O > 212.2869 > 212.120115134 > 1 > 32 > 24.434621506879317 > 1 > 1 > 0 > 1 > 4-(2-phenylpropan-2-yl)phenol > 4.70 > 4.348540737666667 > -4.01 > 0 > 2 > 0 > 10.077016455362044 > -5.460211824951711 > 20.23 > 77.29420000000002 > 2 > 1 > 2.09e-02 g/l > p-cumylphenol > 1 > CDB005748 > p-Cumylphenol $$$$