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1-[(3S,4S)-3-(4-isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
SpectraBase Compound ID 1KfSlof02kY
InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3/t16-,17+,18+,20-/m0/s1
InChIKey BVSOMKYAWFJCTH-XFKSJGNHSA-N
Mol Weight 299.46 g/mol
Molecular Formula C20H29NO
Exact Mass 299.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfBGLakyGtl
Name 1-[(3S,4S)-3-(4-isopropylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
Alternate Name(s) 1-[(3S,4S)-8-methyl-3-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]-1-propanone 1-[(3S,4S)-8-methyl-3-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one 1-[(3S,4S)-8-methyl-3-p-cumenyl-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO
InChI InChI=1S/C20H29NO/c1-5-19(22)20-17(12-16-10-11-18(20)21(16)4)15-8-6-14(7-9-15)13(2)3/h6-9,13,16-18,20H,5,10-12H2,1-4H3/t16-,17+,18+,20-/m0/s1
InChIKey BVSOMKYAWFJCTH-XFKSJGNHSA-N
Molecular Weight 299.458 g/mol
SMILES [C@@]12(N([C@@](CC2)(C[C@@]([C@@]1(C(=O)CC)[H])(c1ccc(cc1)C(C)C)[H])[H])C)[H]
SPLASH splash10-0a5a-9020000000-38041be0874dc9510450
Source of Spectrum E1-37-1266-14
Wiley ID 1575106