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2-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]quinoline
SpectraBase Compound ID FzvHM2SfGR1
InChI InChI=1S/C20H23N/c1-20(2)16-10-7-14(18(20)13-16)8-11-17-12-9-15-5-3-4-6-19(15)21-17/h3-7,9,12,16,18H,8,10-11,13H2,1-2H3/t16-,18-/m0/s1
InChIKey CQLKTVSLXNPTMC-WMZOPIPTSA-N
Mol Weight 277.41 g/mol
Molecular Formula C20H23N
Exact Mass 277.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ss3jvW6DI
Name 2-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]quinoline
Appearance Yellow oil
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Formula C20H23N
InChI InChI=1S/C20H23N/c1-20(2)16-10-7-14(18(20)13-16)8-11-17-12-9-15-5-3-4-6-19(15)21-17/h3-7,9,12,16,18H,8,10-11,13H2,1-2H3/t16-,18-/m0/s1
InChIKey CQLKTVSLXNPTMC-WMZOPIPTSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 277.411 g/mol
Optical Rotation [a]D20 = -37 (c = 1.36, CHCl3)
SMILES c1c2c(nc(c1)CCC1=CC[C@]3(C[C@@]1(C3(C)C)[H])[H])cccc2
SPLASH splash10-0a4o-0980000000-3330f163c9baf9b53856
Source of Spectrum ACI-59-SM19-3n
Wiley ID 1857659