444683 -OEChem-03282408302D 15 14 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 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 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END > 444683 > 1 > 19.6 > 1 > 1 > 1 > AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-butan-2-ol > (2S)-2-butanol > (2S)-butan-2-ol > (2S)-butan-2-ol > (2S)-butan-2-ol > (2S)-butan-2-ol > InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1 > BTANRVKWQNVYAZ-BYPYZUCNSA-N > 0.6 > 74.073164938 > C4H10O > 74.12 > CCC(C)O > CC[C@H](C)O > 20.2 > 74.073164938 > 0 > 5 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 2 1 6 $$$$