Mrv1652304282205332D 15 15 0 0 1 0 999 V2000 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 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 0.3272 1.9659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4973 1.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 2.6656 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 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 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 Cl 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 5 10 1 1 0 0 0 3 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 2 15 1 1 0 0 0 M END > NP0058180 > NP-MRD > C[C@H](Br)[C@]1(C)CC[C@@H](C)[C@@H](C\C=C\Cl)O1 > InChI=1S/C12H20BrClO/c1-9-6-7-12(3,10(2)13)15-11(9)5-4-8-14/h4,8-11H,5-7H2,1-3H3/b8-4+/t9-,10+,11-,12+/m1/s1 > RPUPJNLDKRSQRY-QJBXBYQYSA-N > C12H20BrClO > 295.65 > 294.038606 > 1 > 35 > 27.79152545477955 > 1 > 0 > 0 > 1 > (2S,5R,6R)-2-[(1S)-1-bromoethyl]-6-[(2E)-3-chloroprop-2-en-1-yl]-2,5-dimethyloxane > 4.69 > 4.343667887999999 > -5.82 > 0 > 1 > 0 > -4.197867253821023 > 9.23 > 69.06960000000001 > 3 > 1 > 4.48e-04 g/l > (2S,5R,6R)-2-[(1S)-1-bromoethyl]-6-[(2E)-3-chloroprop-2-en-1-yl]-2,5-dimethyloxane > 1 > NP0058180 > Kumepaloxane $$$$