Mol:
17343-55-4.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0
2.7193 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
3 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
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
8 17 2 0 0 0 0
M END
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N-苄氧羰基-L-缬氨腈 MDL:
MFCD03094752
N-苄氧羰基-L-缬氨腈 InChIKey:
NJLYXYMHKYRDQH-GFCCVEGCSA-N
N-苄氧羰基-L-缬氨腈 Inchi:
InChI=1S/C13H16N2O2/c1-10(2)12(8-14)15-13(16)17-9-11-6-4-3-5-7-11/h3-7,10,12H,9H2,1-2H3,(H,15,16)/t12-/m1/s1
N-苄氧羰基-L-缬氨腈 SMILES:
CC([C@H](NC(OCC1=CC=CC=C1)=O)C#N)C