Mol:
3195-01-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
10.8794 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2391 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5987 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5197 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5197 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1601 3.1400 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
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 2 2 0 0 0 0
5 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 9 1 0 0 0 0
11 15 2 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
16 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
22 10 2 0 0 0 0
M END
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L-(-)-N-去甲亚美*** InChIKey:
NKBBUUNAVOMVER-UHFFFAOYSA-N
L-(-)-N-去甲亚美*** Inchi:
InChI=1S/C18H21NO3/c1-21-17-10-13-7-8-19-16(15(13)11-18(17)22-2)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,19-20H,7-9H2,1-2H3
L-(-)-N-去甲亚美*** SMILES:
OC1=CC=C(CC2NCCC3=CC(=C(C=C23)OC)OC)C=C1