2
2-(Benzylthio)propanoic acid
Maybridge_Ro3_Fragment_05_E02
InChI=1S/C10H12O2S/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
./alatis_output_input_3d.mol
Bruker
./1H/
600.01
1
32768
1
Maybridge_Ro3_Fragment_05_E02_.jpg
2
0.00713
Done
18,19,20,21 overlap (strong coupling)
17 hexet
1
1
0.9
0.1
4.6
5
1
-.1
.1
1
2
1.0000
0.9000
0.1000
4.6000
5.0000
1
-0.1000
0.1000
1
3
1.0000
0.9000
0.1000
4.6000
5.0000
1
-0.1000
0.1000
1