Mol:
103403-38-9.mol by:chem960.com
ChemDraw08031019472D
…………
932 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.5529 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.9125 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31.2722 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.2722 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32.6318 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.9915 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.3512 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.3512 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.9915 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.6318 0.7850 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 1 0 0 0 0
4 5 1 0 0 0 0
5 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
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
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。
山嵛醇苯甲酸酯 InChIKey: IACXYDVFQDGXJF-UHFFFAOYSA-N
山嵛醇苯甲酸酯 Inchi: InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31-29(30)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3
山嵛醇苯甲酸酯 SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(C1C=CC=CC=1)=O