12213344 -OEChem-03282405192D 12 11 0 0 0 0 0 0 0999 V2000 3.7320 0.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.7015 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M ISO 1 5 2 M END > 12213344 > 1 > 10.8 > 1 > 1 > 0 > AAADccBAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-deuteriopropan-2-ol > 2-deuterio-2-propanol > 2-deuteriopropan-2-ol > 2-deuteriopropan-2-ol > 2-deuteriopropan-2-ol > 2-deuteriopropan-2-ol > InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D > KFZMGEQAYNKOFK-WFVSFCRTSA-N > 0.3 > 61.063791620 > C3H8O > 61.10 > CC(C)O > [2H]C(C)(C)O > 20.2 > 61.063791620 > 0 > 4 > 0 > 0 > 0 > 0 > 1 > 1 > -1 > 1 5 255 $$$$