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(1S,5R)-2-Heptyl-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one

View entire compound with spectra: 1 MS (GC)

(1S,5R)-2-Heptyl-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID Ksh0bYcw64a
InChI InChI=1S/C16H29NO/c1-3-4-5-6-7-10-14-15-11-8-9-13(17(15)2)12-16(14)18/h13-15H,3-12H2,1-2H3/t13-,14?,15+/m1/s1
InChIKey SNRHDZAXGDBLAN-LOWNFYCTSA-N
Mol Weight 251.41 g/mol
Molecular Formula C16H29NO
Exact Mass 251.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BWJpsswb2P
Name (1S,5R)-2-Heptyl-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H29NO
InChI InChI=1S/C16H29NO/c1-3-4-5-6-7-10-14-15-11-8-9-13(17(15)2)12-16(14)18/h13-15H,3-12H2,1-2H3/t13-,14?,15+/m1/s1
InChIKey SNRHDZAXGDBLAN-LOWNFYCTSA-N
Molecular Weight 251.414 g/mol
SMILES [C@@]12(N([C@@](CC(C2CCCCCCC)=O)(CCC1)[H])C)[H]
SPLASH splash10-0002-9000000000-de87b85f6c2a18184efb
Source of Spectrum F-70-606-2g
Synonyms 2-Heptyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (1S,5R)-2-heptyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Wiley ID 1742396