Mrv1533004241509122D 14 15 0 0 0 0 999 V2000 3.4990 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 4 14 1 0 0 0 0 M END > NP0161988 > NP-MRD > CC(C)C1=CC2C(C)CCC2C(=O)C1 > InChI=1S/C13H20O/c1-8(2)10-6-12-9(3)4-5-11(12)13(14)7-10/h6,8-9,11-12H,4-5,7H2,1-3H3 > QCGKUVQFKYIGAV-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.102752900705077 > 1 > 0 > 0 > 1 > 1-methyl-6-(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-one > 3.12 > 3.1990888743333334 > -3.10 > 0 > 2 > 0 > 16.205084183390138 > -7.504482012568925 > 17.07 > 59.2661 > 1 > 1 > 1.52e-01 g/l > 6-isopropyl-1-methyl-1,2,3,3a,5,7a-hexahydroinden-4-one > 1 > NP0161988 > 6-isopropyl-1-methyl-1,2,3,3a,5,7a-hexahydroinden-4-one $$$$