Mol:
58823-88-4.mol by:chem960.com
ChemDraw08031019472D
…………
0 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 3.9250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.5700 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
M CHG 1 8 -1
M CHG 1 10 1
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
磷酸甜菜碱 InChIKey:
RDQMORJTLICVPR-UHFFFAOYSA-N
磷酸甜菜碱 Inchi:
InChI=1S/C5H11NO2.H3O4P/c1-6(2,3)4-5(7)8;1-5(2,3)4/h4H2,1-3H3;(H3,1,2,3,4)
磷酸甜菜碱 SMILES:
C[N+](C)(C)CC(=O)O.OP(=O)(O)[O-]