Mol:
114781-18-9.mol by:chem960.com
ChemDraw08031019472D
…………
2.3550 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 6.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7053 1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3457 2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
2 12 1 0 0 0 0
12 13 1 0 0 0 0
M END
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(R)-2-氨基-2-乙基辛酸 InChIKey:
NKBJUCYPZSRVDF-UHFFFAOYSA-N
(R)-2-氨基-2-乙基辛酸 Inchi:
InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)
(R)-2-氨基-2-乙基辛酸 SMILES:
NC(CC)(CCCCCC)C(O)=O