3394 Marvin 12300703363D 31 32 0 0 1 0 999 V2000 1.6376 -1.7598 -0.0309 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 4.5271 1.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.8358 2.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 2.9903 -0.0338 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8481 1.7001 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -0.8325 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 0.4574 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 1.6695 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -0.7585 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 0.4466 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9331 2.9829 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -2.0759 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 3.4537 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 -2.1192 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -3.3703 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 -3.3122 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -4.5782 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -4.5485 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 3.7557 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 0.4343 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 2.5451 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 0.5594 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7636 2.5817 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 3.9884 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 2.3812 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -1.2801 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 -3.5270 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -3.2868 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -5.4752 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4304 -5.4223 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 5.0372 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > 12 14 8 12 15 8 14 16 8 15 17 8 16 18 8 17 18 8 4 11 3 5 7 8 5 8 8 6 10 8 6 9 8 7 9 8 8 10 8 > InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1 > SYTBZMRGLBWNTM-JTQLQIEISA-N > 1/1/N:11,18,16,17,14,15,8,10,7,4,12,5,6,9,13,1,2,3/E:(3,4)(5,6)(17,18)/it:im/rA:31cFOOCCCCCCCCCCCCCCCHHHHHHHHHHHHH/rB:;;;s4;;d5;s5;s1d6s7;s6d8;s4;s6;s2d3s4;d12;s12;s14;d15;d16s17;s4;s7;s8;s10;s11;s11;s11;s14;s15;s16;s17;s18;s2;/rC:1.6376,-1.7598,-.0309;2.3522,4.5271,1.5756;1.461,2.8358,2.3336;1.6102,2.9903,-.0338;.8481,1.7001,-.0854;-.6247,-.8325,-.0804;1.508,.4574,-.0356;-.5614,1.6695,-.1172;.8025,-.7585,-.0518;-1.259,.4466,-.1066;2.9331,2.9829,-.8598;-1.385,-2.0759,-.0772;1.8126,3.4537,1.3372;-2.8123,-2.1192,-.0734;-.7842,-3.3703,-.0764;-3.5608,-3.3122,-.0707;-1.5015,-4.5782,-.0717;-2.9007,-4.5485,-.0698;.9963,3.7557,-.5212;2.5293,.4343,.0203;-1.094,2.5451,-.1326;-2.271,.5594,-.1151;2.7636,2.5817,-1.8621;3.3416,3.9884,-.9762;3.7091,2.3812,-.3808;-3.3882,-1.2801,-.0714;.2157,-3.527,-.0803;-4.5834,-3.2868,-.0691;-1.008,-5.4752,-.0702;-3.4304,-5.4223,-.068;2.6438,5.0372,.9211; > C15 H13 F O2 > 244.2609 > FC1C([H])=C(C([H])=C([H])C=1C1C([H])=C([H])C([H])=C([H])C=1[H])[C@@]([H])(C(=O)O[H])C([H])([H])[H] > 3277 $$$$