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2-(3,5-dimethyl-1-adamantyl)-1,2-dicyanoethane
SpectraBase Compound ID 9i7g21pPdh1
InChI InChI=1S/C16H22N2/c1-14-5-12-6-15(2,9-14)11-16(7-12,10-14)13(8-18)3-4-17/h12-13H,3,5-7,9-11H2,1-2H3/t12-,13?,14+,15-,16-
InChIKey MFZVPKBNHOEUJD-BBYDHASZSA-N
Mol Weight 242.37 g/mol
Molecular Formula C16H22N2
Exact Mass 242.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAxOBza6sfV
Name 2-(3,5-dimethyl-1-adamantyl)-1,2-dicyanoethane
Alternate Name(s) 2-(3,5-dimethyl-1-adamantyl)succinonitrile
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Formula C16H22N2
InChI InChI=1S/C16H22N2/c1-14-5-12-6-15(2,9-14)11-16(7-12,10-14)13(8-18)3-4-17/h12-13H,3,5-7,9-11H2,1-2H3/t12-,13?,14+,15-,16-
InChIKey MFZVPKBNHOEUJD-BBYDHASZSA-N
Molecular Weight 242.366 g/mol
SMILES C(C(C#N)[C@]12C[C@@]3(C[C@@](C[C@](C2)(C3)[H])(C1)C)C)C#N
SPLASH splash10-08fr-0900000000-f58acb215411254dbef3
Source of Spectrum SO-0-826-4
Wiley ID 1540321