3386 Marvin 12300703363D 40 41 0 0 1 0 999 V2000 -2.6085 -5.4655 1.2131 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 -4.5442 1.3956 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 -5.0492 3.1904 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 0.2746 1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9145 -0.8249 -2.8115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 0.8193 0.2196 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9509 -0.2145 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7209 2.1537 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 0.2293 -2.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 2.3246 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 3.3371 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -0.7378 1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7231 3.5977 0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 4.6176 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -1.3067 2.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 -1.3634 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -3.2074 1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 4.7471 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 -0.4729 -4.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -2.5198 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -2.5851 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 -4.5468 1.9167 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7693 1.0419 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -0.4436 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -1.1821 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 1.1202 -2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 0.4839 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 1.5262 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 3.2832 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -0.9858 -2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7408 3.6877 0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 5.4548 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -0.8560 3.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -0.9607 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 5.6737 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -1.2943 -4.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 0.4274 -4.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -0.3110 -4.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 -2.9065 3.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -3.0220 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > 10 13 8 11 14 8 12 15 8 12 16 8 13 18 8 14 18 8 15 20 8 16 21 8 17 20 8 17 21 8 6 7 3 8 10 8 8 11 8 > InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 > RTHCYVBBDHJXIQ-MRXNPFEDSA-N > 1/0/N:19,18,13,14,10,11,20,21,15,16,7,9,8,17,12,6,22,1,2,3,5,4/E:(3,4)(5,6)(7,8)(9,10)(18,19,20)/it:im/rA:40cFFFONCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s6;s6;s5s7;d8;s8;s4;s10;d11;d12;s12;;d13s14;s5;s15d17;d16s17;s1s2s3s17;s6;s7;s7;s9;s9;s10;s11;s5;s13;s14;s15;s16;s18;s19;s19;s19;s20;s21;/rC:-2.6085,-5.4655,1.2131;-4.6231,-4.5442,1.3956;-3.4652,-5.0492,3.1904;-.502,.2746,1.3188;1.9145,-.8249,-2.8115;.0688,.8193,.2196;.9509,-.2145,-.5683;.7209,2.1537,.4545;1.2546,.2293,-2.0174;2.124,2.3246,.5952;-.063,3.3371,.4468;-1.2904,-.7378,1.4507;2.7231,3.5977,.6114;.5229,4.6176,.4785;-1.4425,-1.3067,2.7322;-1.9721,-1.3634,.3771;-2.7121,-3.2074,1.8102;1.9204,4.7471,.538;2.1048,-.4729,-4.2307;-2.1407,-2.5198,2.909;-2.6411,-2.5851,.5443;-3.3512,-4.5468,1.9167;-.7693,1.0419,-.4503;1.8713,-.4436,-.028;.4561,-1.1821,-.6488;1.8857,1.1202,-2.0034;.3065,.4839,-2.4994;2.7553,1.5262,.659;-1.0828,3.2832,.3898;2.8382,-.9858,-2.4032;3.7408,3.6877,.6649;-.0634,5.4548,.4448;-1.0188,-.856,3.5475;-1.9658,-.9607,-.5617;2.3537,5.6737,.5295;2.6098,-1.2943,-4.7367;2.7143,.4274,-4.3319;1.141,-.311,-4.7183;-2.2041,-2.9065,3.8531;-3.0616,-3.022,-.2808; > C17 H18 F3 N O > 309.3261 > FC(C1C([H])=C([H])C(=C([H])C=1[H])O[C@@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])C([H])([H])[N@]([H])C([H])([H])[H])(F)F > 3269 $$$$