Mol:
6882-99-1.mol by:chem960.com
ChemDraw08031019472D
…………
50 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5825 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9422 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9422 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5825 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2228 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2563 4.6767 0.0000 N 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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 8 2 0 0 0 0
13 14 1 0 0 0 0
14 3 2 0 0 0 0
10 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 15 2 0 0 0 0
16 21 1 0 0 0 0
21 9 1 0 0 0 0
M CHG 1 13 1
M END
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常绿钩吻碱 InChIKey: UQVUEULZDJRMJR-UHFFFAOYSA-O
常绿钩吻碱 Inchi: InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2/p+1
常绿钩吻碱 SMILES: C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4