Mol:
2089-36-3.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0
5.4386 3.1400 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 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1400 0.0000 O 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 2 0 0 0 0
5 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
M END
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胡椒醛肟 MDL: MFCD00016905
胡椒醛肟 InChIKey: VDAJDWUTRXNYMU-RUDMXATFSA-N
胡椒醛肟 Inchi: InChI=1S/C8H7NO3/c10-9-4-6-1-2-7-8(3-6)12-5-11-7/h1-4,10H,5H2/b9-4+
胡椒醛肟 SMILES: O/N=C/C1=CC=C(OCO2)C2=C1
胡椒醛肟 BRN: 83661