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3.beta.-(4-Cyclohexylphenyl]-2.beta.-propanoyl-8-azabicyclo[3.2.1]octane
SpectraBase Compound ID Jy1a6Pqwka0
InChI InChI=1S/C22H31NO/c1-2-21(24)22-19(14-18-12-13-20(22)23-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15,18-20,22-23H,2-7,12-14H2,1H3/t18-,19-,20+,22+/m1/s1
InChIKey GNESLQYXMBLEBJ-JBPLPALLSA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hh58QO7qCdF
Name 3.beta.-(4-Cyclohexylphenyl]-2.beta.-propanoyl-8-azabicyclo[3.2.1]octane
Alternate Name(s) 1-[(3S,5R)-3-(4-cyclohexylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO
InChI InChI=1S/C22H31NO/c1-2-21(24)22-19(14-18-12-13-20(22)23-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,15,18-20,22-23H,2-7,12-14H2,1H3/t18-,19-,20+,22+/m1/s1
InChIKey GNESLQYXMBLEBJ-JBPLPALLSA-N
Molecular Weight 325.496 g/mol
SMILES N1[C@]2(C[C@@]([C@@]([C@@]1(CC2)[H])(C(=O)CC)[H])(c1ccc(cc1)C1CCCCC1)[H])[H]
SPLASH splash10-056u-9363000000-79056656690c5af6a9d0
Source of Spectrum E1-39-2557-11
Wiley ID 1598799