Mrv1652304272018582D 11 12 0 0 0 0 999 V2000 -0.7930 2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 0.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > CDB005808 > CDB > CN1C=C(C)C2=CC=CC=C12 > InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3 > NAPPMSNSLWACIV-UHFFFAOYSA-N > C10H11N > 145.205 > 145.089149358 > 0 > 22 > 17.063292699943005 > 1 > 0 > 0 > 0 > 1,3-dimethyl-1H-indole > 2.90 > 2.809105264 > -2.39 > 0 > 2 > 0 > 4.93 > 47.0824 > 0 > 1 > 5.97e-01 g/l > 1H-indole, 1,3-dimethyl- > 1 > CDB005808 > 4-Deuterio-1,3-dimethylindole $$$$