12 12 0 0000 0 0 0 0 0999 V2000 1.2625 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.7125 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3292 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0375 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 4 1 0 6 3 1 0 7 3 2 0 8 4 1 0 9 8 1 0 10 7 1 0 11 6 2 0 12 10 2 0 11 12 1 0 M END > InChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3 > SHBYDSJVZCGXOZ-UHFFFAOYSA-N > 1/0/N:9,8,12,10,11,7,6,3,4,1,5,2/E:(4,5)(6,7)/rA:12nCOCCNCCCCCCC/rB:d1;s1;s1;s4;s3;d3;s4;s8;s7;d6;d10s11;/rC:1.2625,-1.0667,0;1.7125,-.2375,0;.25,-1.0792,0;1.775,-1.8875,0;1.3292,-2.7167,0;-.1125,-.45,0;-.1125,-1.7167,0;2.6167,-1.8875,0;3.0375,-2.6125,0;-.8458,-1.7167,0;-.8458,-.45,0;-1.2,-1.0792,0; > C10 H13 N O > 163.2163 > C(C(CC)N)(C1=CC=CC=C1)=O > 10517542 $$$$