Mrv1533004161507392D 14 14 0 0 0 0 999 V2000 2.1434 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 0.0000 -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 0.0000 0.8250 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 -0.7145 2.0625 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 2.0625 0.0000 O 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 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 7 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > NP0194274 > NP-MRD > CC1CC=C(C)C(C=CC=O)C1(C)C > InChI=1S/C13H20O/c1-10-7-8-11(2)13(3,4)12(10)6-5-9-14/h5-7,9,11-12H,8H2,1-4H3 > WTXNKMUAUXRDQM-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 22.982733246616483 > 1 > 0 > 0 > 1 > 3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)prop-2-enal > 3.90 > 3.1180588163333334 > -3.71 > 0 > 1 > 0 > -4.543043884268942 > 17.07 > 62.160799999999995 > 2 > 1 > 3.79e-02 g/l > 3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)prop-2-enal > 1 > NP0194274 > 3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)prop-2-enal $$$$