Mol:
96184-81-5.mol by:chem960.com
ChemDraw08031019472D
…………
0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 3 1 0
M END
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环己酮-4-甲醛 MDL:
MFCD04972553
环己酮-4-甲醛 InChIKey:
SFNKUFOBKQJUEB-UHFFFAOYSA-N
环己酮-4-甲醛 Inchi:
1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
环己酮-4-甲醛 SMILES:
O=CC1CCC(=O)CC1