Mrv1533004171508472D 12 11 0 0 0 0 999 V2000 -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 3.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.9520 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 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > NP0181016 > NP-MRD > CCCCCC=CCOC(C)=O > InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3 > MBRLTLPMVMFRTJ-UHFFFAOYSA-N > C10H18O2 > 170.252 > 170.13067982 > 1 > 30 > 20.883933030039245 > 1 > 0 > 0 > 1 > oct-2-en-1-yl acetate > 3.91 > 2.818707819666666 > -3.40 > 0 > 0 > 0 > -7.004415650837201 > 26.3 > 50.653000000000006 > 7 > 1 > 6.73e-02 g/l > oct-2-en-1-yl acetate > 1 > NP0181016 > oct-2-en-1-yl acetate $$$$