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(2R,3S,4R)-4-butyl-2-hydroxy-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-6-carbonitrile
SpectraBase Compound ID IzzAsP2TaCj
InChI InChI=1S/C19H26N2O/c1-3-4-10-15-17(13-8-6-5-7-9-13)19(22)16-11-14(12-20)18(15)21(16)2/h5-9,14-19,22H,3-4,10-11H2,1-2H3/t14?,15-,16?,17-,18?,19+/m1/s1
InChIKey CNYASGWWPLVZKI-FTBYZGQBSA-N
Mol Weight 298.43 g/mol
Molecular Formula C19H26N2O
Exact Mass 298.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FanMJkwKTc3
Name (2R,3S,4R)-4-butyl-2-hydroxy-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O
InChI InChI=1S/C19H26N2O/c1-3-4-10-15-17(13-8-6-5-7-9-13)19(22)16-11-14(12-20)18(15)21(16)2/h5-9,14-19,22H,3-4,10-11H2,1-2H3/t14?,15-,16?,17-,18?,19+/m1/s1
InChIKey CNYASGWWPLVZKI-FTBYZGQBSA-N
Molecular Weight 298.430 g/mol
SMILES O[C@]1(C2N(C(C(C#N)C2)[C@@]([C@]1(c1ccccc1)[H])(CCCC)[H])C)[H]
SPLASH splash10-0a4l-6940000000-623b225cfe21a8b4008a
Source of Spectrum J-62-508-11
Wiley ID 1301317