1-氰基金剛烷(23074-42-2)質(zhì)譜(MS)
InChI:InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey: FQFZASRJFRAEIH-UHFFFAOYSA-N
Smiles:C12(C#N)CC3CC(CC(C3)C1)C2
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ppm Int. Assign.
125.18 70 1
39.97 950 2
35.78 985 3
30.22 149 4
27.14 1000 5
Spectral Code: 13C NMR : in CDCl3