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3.beta.-(p-tert-Butylphenyl)-8-methyl-2.beta.-propanoyl-8-azabicyclo[3.2.1]octane
SpectraBase Compound ID Am4z7T0vnRG
InChI InChI=1S/C21H31NO/c1-6-19(23)20-17(13-16-11-12-18(20)22(16)5)14-7-9-15(10-8-14)21(2,3)4/h7-10,16-18,20H,6,11-13H2,1-5H3/t16-,17+,18+,20-/m0/s1
InChIKey WZYNIEYWUWEBLZ-XFKSJGNHSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C60Oxwe9JJk
Name 3.beta.-(p-tert-Butylphenyl)-8-methyl-2.beta.-propanoyl-8-azabicyclo[3.2.1]octane
Alternate Name(s) 1-[(2S,3S)-3-(4-tert-butylphenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-6-19(23)20-17(13-16-11-12-18(20)22(16)5)14-7-9-15(10-8-14)21(2,3)4/h7-10,16-18,20H,6,11-13H2,1-5H3/t16-,17+,18+,20-/m0/s1
InChIKey WZYNIEYWUWEBLZ-XFKSJGNHSA-N
Molecular Weight 313.485 g/mol
SMILES [C@]12([C@]([C@](C[C@](CC2)(N1C)[H])(c1ccc(cc1)C(C)(C)C)[H])(C(CC)=O)[H])[H]
SPLASH splash10-0a59-9153000000-786db4ad57a29a4f31a2
Source of Spectrum E1-37-1266-15
Wiley ID 1575105