13 12 0 0000 0 0 0 0 0999 V2000 8.6618 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3285 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3238 -3.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.6665 -3.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.6618 -4.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.3285 -4.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6620 -3.4498 0.0000 C 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 1.9953 -3.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6573 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9906 -2.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9953 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 4 6 1 0 5 6 1 0 7 9 2 0 8 10 1 0 9 11 1 0 10 13 1 0 11 12 2 0 11 13 1 0 M END > InChI=1S/C6H8.C5H8O2/c1-2-4-6-5-3-1;1-3-5(6)7-4-2/h1-4H,5-6H2;3H,1,4H2,2H3 > USKLDSQPUBZPIG-UHFFFAOYSA-N > 1/0/N:1,2,3,4,5,6;7,8,9,10,11,12,13/E:(1,2)(3,4)(5,6);/rA:13nCCCCCCCCCCCOO/rB:s1;d1;d2;s3;s4s5;;;d7;s8;s9;d11;s10s11;/rC:8.6618,-2.303,0;7.3285,-2.303,0;9.3238,-3.4498,0;6.6665,-3.4498,0;8.6618,-4.606,0;7.3285,-4.606,0;.662,-3.4498,0;;1.9953,-3.4498,0;.662,-1.1468,0;2.6573,-2.303,0;3.9906,-2.303,0;1.9953,-1.1468,0; > C11 H16 O2 > 180.2435 > C1=CCCC=C1.C=CC(OCC)=O > 29333895 $$$$