Mol:
2049-96-9.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
5.4386 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 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 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
1 8 2 0 0 0 0
1 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
M END
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苯甲酸正戊酯 MDL: MFCD00048843
苯甲酸正戊酯 InChIKey: QKNZNUNCDJZTCH-UHFFFAOYSA-N
苯甲酸正戊酯 Inchi: 1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
苯甲酸正戊酯 SMILES: CCCCCOC(=O)C1=CC=CC=C1