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6-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]pyridine-3-carbonitrile
SpectraBase Compound ID CGpv5uqB2KU
InChI InChI=1S/C17H20N2/c1-17(2)14-6-4-13(16(17)9-14)5-8-15-7-3-12(10-18)11-19-15/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3/t14-,16-/m0/s1
InChIKey SBQOUMKSKLKICN-HOCLYGCPSA-N
Mol Weight 252.36 g/mol
Molecular Formula C17H20N2
Exact Mass 252.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgbMMDQEm1t
Name 6-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]pyridine-3-carbonitrile
Appearance Red crystals
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Formula C17H20N2
InChI InChI=1S/C17H20N2/c1-17(2)14-6-4-13(16(17)9-14)5-8-15-7-3-12(10-18)11-19-15/h3-4,7,11,14,16H,5-6,8-9H2,1-2H3/t14-,16-/m0/s1
InChIKey SBQOUMKSKLKICN-HOCLYGCPSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 252.361 g/mol
Optical Rotation [a]D20 = -34 (c = 0.83, CHCl3)
SMILES c1c(cnc(c1)CCC1=CC[C@]2(C[C@@]1(C2(C)C)[H])[H])C#N
SPLASH splash10-001i-0960000000-c1aceec1ac4ce960ff5e
Source of Spectrum ACI-59-SM13-3c
Wiley ID 1857648