16 16 0 0000 0 0 0 0 0999 V2000 -1.4833 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.2000 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.9083 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -2.2083 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 -2.9208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 1 2 0 4 2 2 0 5 3 1 0 6 5 2 0 7 11 1 0 8 2 1 0 9 5 1 0 10 1 1 0 11 10 1 0 12 7 1 0 13 8 1 0 14 9 1 0 15 12 1 0 16 15 1 0 4 6 1 0 M END > InChI=1S/C13H21NO2/c1-4-8-14-9-7-11-10-12(15-2)5-6-13(11)16-3/h5-6,10,14H,4,7-9H2,1-3H3 > NBRBAASYQVVTDE-UHFFFAOYSA-N > 1/0/N:16,14,13,15,6,4,10,12,11,3,1,5,2,7,9,8/rA:16nCCCCCCNOOCCCCCCC/rB:s1;d1;d2;s3;s4d5;;s2;s5;s1;s7s10;s7;s8;s9;s12;s15;/rC:-1.4833,-.7,0;-2.1958,-1.1125,0;-1.4875,.1333,0;-2.9083,-.7042,0;-2.2,.5458,0;-2.9083,.125,0;.6667,-1.1125,0;-2.1875,-1.9292,0;-2.2083,1.3708,0;-.7583,-1.1042,0;-.0458,-.6917,0;1.3792,-.7042,0;-2.9,-2.3417,0;-2.9208,1.7833,0;2.0917,-1.125,0;2.8125,-.7167,0; > C13 H21 N O2 > 223.3113 > C1(CCNCCC)=CC(OC)=CC=C1OC > 25470401 $$$$