10 9 0 0000 0 0 0 0 0999 V2000 3.2321 0.5490 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 2 7 1 0 2 9 1 0 3 7 2 0 4 5 1 0 4 6 1 0 4 7 1 0 5 8 1 0 9 10 1 0 M END > 4 1 3 > InChI=1S/C7H13BrO2/c1-4-7(3,8)6(9)10-5-2/h4-5H2,1-3H3 > ALHOFXQMBUWICK-UHFFFAOYSA-N > 1/0/N:8,10,6,5,9,7,4,1,3,2/rA:23cBrOOCCCCCCCHHHHHHHHHHHHH/rB:;;s1;s4;s4;s2d3s4;s5;s2;s9;s5;s5;s6;s6;s6;s8;s8;s8;s9;s9;s10;s10;s10;/rC:3.2321,.549,0;5.4641,-.317,0;4.5981,1.183,0;3.7321,-.317,0;2.866,-.817,0;4.2321,-1.183,0;4.5981,.183,0;2,-.317,0;6.3301,.183,0;7.1962,-.317,0;2.4675,-1.2919,0;3.2646,-1.2919,0;3.6951,-1.493,0;4.5421,-1.7199,0;4.769,-.873,0;2.31,.2199,0;1.4631,-.007,0;1.69,-.8539,0;5.9316,.658,0;6.7287,.658,0;6.8862,-.8539,0;7.7331,-.627,0;7.5062,.2199,0; > C7 H13 Br O2 > 209.0809 > BrC(C(=O)OC([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] > 191683 $$$$