Mrv1652303202019002D 9 9 0 0 0 0 999 V2000 -0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 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 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 8 4 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 9 6 2 0 0 0 0 9 7 1 0 0 0 0 M END > CDB000654 > CDB > CCC1=CC=C(C)C=C1 > InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 > JRLPEMVDPFPYPJ-UHFFFAOYSA-N > C9H12 > 120.195 > 120.093900386 > 0 > 21 > 15.06025101010677 > 1 > 0 > 0 > 0 > 1-ethyl-4-methylbenzene > 3.83 > 3.4446572596666662 > -3.36 > 0 > 1 > 0 > 0.0 > 40.7414 > 1 > 1 > 5.31e-02 g/l > P-ethyltoluene > 1 > CDB000654 > p-Ethyltoluene $$$$