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[1R*,4S*,5S*]-1,4-Dimethyl-8-oxabicyclo[3.2.1]oct-3-one isomer
SpectraBase Compound ID 7aLH4JAxi55
InChI InChI=1S/C9H14O2/c1-6-7(10)5-9(2)4-3-8(6)11-9/h6,8H,3-5H2,1-2H3/t6-,8+,9-/m1/s1
InChIKey PKABKTZXZDHRMT-BWVDBABLSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eEOWyBEp6
Name [1R*,4S*,5S*]-1,4-Dimethyl-8-oxabicyclo[3.2.1]oct-3-one isomer
Alternate Name(s) [1R*,4S*,5S*]-1,4-Dimethyl-8-oxabicyclo[3.2.1]oct-3-one
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Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-7(10)5-9(2)4-3-8(6)11-9/h6,8H,3-5H2,1-2H3/t6-,8+,9-/m1/s1
InChIKey PKABKTZXZDHRMT-BWVDBABLSA-N
Molecular Weight 154.209 g/mol
SMILES C1([C@]([C@@]2(CC[C@@](O2)(C1)C)[H])(C)[H])=O
SPLASH splash10-0a6u-9800000000-2a1e5818e4b45a3cacd7
Source of Spectrum F-55-621-6
Wiley ID 836532