Mrv1652309082221282D 10 9 0 0 0 0 999 V2000 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 0.0000 O 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > NP0272728 > NP-MRD > CCCC(CC)OC(C)=O > InChI=1S/C8H16O2/c1-4-6-8(5-2)10-7(3)9/h8H,4-6H2,1-3H3 > RTIAQOLKVLAEAU-UHFFFAOYSA-N > C8H16O2 > 144.214 > 144.115029755 > 1 > 26 > 16.846185918189377 > 1 > 0 > 0 > 0 > hexan-3-yl acetate > 2.185544776 > 0 > 0 > 0 > -7.002551678840528 > 26.3 > 40.229200000000006 > 5 > 1 > hexan-3-yl acetate > 1 > NP0272728 > hexan-3-yl acetate $$$$