2 Ethyl-acetoacetate bmse000944 InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 ./alatis_output_bmse000944.mol Bruker ./1H/ 499.84 1 32768 1 ./bmse000944_.jpg 2 0.01497 Done merged 1 1.0000 0.9000 0.1000 4.6000 5.0000 1 -0.1000 0.1000 1 sub_matrix_1 2 0.2990 0.8570 0.1430 4.6000 5.0000 1 -0.1000 0.1000 1 sub_matrix_2 3 0.5180 0.9580 0.0420 4.6000 5.0000 1 -0.1000 0.1000 1