Mrv0541 04121516562D 14 14 0 0 0 0 999 V2000 3.4709 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0584 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 8 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > NP0164367 > NP-MRD > CC(=O)OCC1CC(C(C)=C)C1(C)C > InChI=1S/C12H20O2/c1-8(2)11-6-10(12(11,4)5)7-14-9(3)13/h10-11H,1,6-7H2,2-5H3 > XUCVWTVHEYSKFF-UHFFFAOYSA-N > C12H20O2 > 196.29 > 196.146329884 > 1 > 34 > 22.874331302714303 > 1 > 0 > 0 > 1 > [2,2-dimethyl-3-(prop-1-en-2-yl)cyclobutyl]methyl acetate > 3.67 > 2.405721543 > -3.25 > 0 > 1 > 0 > -6.9944608719971315 > 26.3 > 56.4552 > 4 > 1 > 1.10e-01 g/l > [2,2-dimethyl-3-(prop-1-en-2-yl)cyclobutyl]methyl acetate > 1 > NP0164367 > [2,2-dimethyl-3-(prop-1-en-2-yl)cyclobutyl]methyl acetate $$$$