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9-Azabicyclo[3.3.1]nonan-3-one, 1-pentyl-9-(1-phenylethyl)-, [1R-[1.alpha.,5.alpha.,9(R*)]]-
SpectraBase Compound ID VpiIo1Ml9F
InChI InChI=1S/C21H31NO/c1-3-4-8-13-21-14-9-12-19(15-20(23)16-21)22(21)17(2)18-10-6-5-7-11-18/h5-7,10-11,17,19H,3-4,8-9,12-16H2,1-2H3/t17-,19+,21-/m1/s1
InChIKey XVAFAZJEYUWJGY-SLYNCCJLSA-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 lsfw7N8PqR
Name 9-Azabicyclo[3.3.1]nonan-3-one, 1-pentyl-9-(1-phenylethyl)-, [1R-[1.alpha.,5.alpha.,9(R*)]]-
Alternate Name(s) 9-Azabicyclo[3.3.1]nonan-3-one, 1-pentyl-9-(1-phenylethyl)-, [1S-[1.alpha.,5.alpha.,9(S*)]]- 1-Pentyl-9-[(1R)-1-phenylethyl]-9-azabicyclo[3.3.1]nonan-3-one N-[(R)-1-phenylethyl]-1-n-amyl-9-azabicyclo[3.3.1]nonan-3-one (liquid diastereomer) N-[(R)-1-phenylethyl]-1-n-amyl-9-azabicyclo[3.3.1]nonan-3-one (solid diastereomer)
CAS Registry Number 84002-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-3-4-8-13-21-14-9-12-19(15-20(23)16-21)22(21)17(2)18-10-6-5-7-11-18/h5-7,10-11,17,19H,3-4,8-9,12-16H2,1-2H3/t17-,19+,21-/m1/s1
InChIKey XVAFAZJEYUWJGY-SLYNCCJLSA-N
Molecular Weight 313.485 g/mol
SMILES [C@]12(N([C@](CC(C2)=O)(CCC1)[H])[C@@](c1ccccc1)(C)[H])CCCCC
SPLASH splash10-0a4i-3901000000-3419997e70ec37685398
Source of Spectrum F-38-1962-0
Wiley ID 1314471