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2-Allylbicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID 9C130WqAE8I
InChI InChI=1S/C12H18O/c1-2-4-11-10-6-3-5-9(7-10)8-12(11)13/h2,9-11H,1,3-8H2/t9?,10-,11+/m1/s1
InChIKey HHMRDIQEJQTIJQ-ZOCYIJKUSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RLZpRq0v15
Name 2-Allylbicyclo[3.3.1]nonan-3-one
Alternate Name(s) (1R,2S,5R)-2-allylbicyclo[3.3.1]nonan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-4-11-10-6-3-5-9(7-10)8-12(11)13/h2,9-11H,1,3-8H2/t9?,10-,11+/m1/s1
InChIKey HHMRDIQEJQTIJQ-ZOCYIJKUSA-N
Literature Reference DOI 10.1021/ol4016207
Molecular Weight 178.275 g/mol
SMILES C12C[C@]([C@@](CC=C)([H])C(C2)=O)(CCC1)[H]
SPLASH splash10-00n1-9400000000-4b2bc1b05aace24c8dc0
Source of Spectrum A1-15-3880/SMS14-3i
Wiley ID 1748972