1-Adamantanecarbonitrile(23074-42-2) IR1
Molecular FormulaC11H15N
Molecular Weight161.24
InChIInChI=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
SmilesC12(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