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4-exo-Acetoxy-5-methylbicyclo[3.3.1]nonan-9-one-1-carboxylic Acid
SpectraBase Compound ID 5NdTa5PSccj
InChI InChI=1S/C13H18O5/c1-8(14)18-9-4-7-13(11(16)17)6-3-5-12(9,2)10(13)15/h9H,3-7H2,1-2H3,(H,16,17)
InChIKey LIMDNCIPBMIFIJ-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uHSkTZQ0ey
Name 4-exo-Acetoxy-5-methylbicyclo[3.3.1]nonan-9-one-1-carboxylic Acid
Alternate Name(s) 4-endo-Acetoxy-5-methylbicyclo[3.3.1]nonan-9-one-1-carboxylic Acid 4-(acetyloxy)-5-methyl-9-oxobicyclo[3.3.1]nonane-1-carboxylic acid
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-8(14)18-9-4-7-13(11(16)17)6-3-5-12(9,2)10(13)15/h9H,3-7H2,1-2H3,(H,16,17)
InChIKey LIMDNCIPBMIFIJ-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES OC(C12C(C(C)(CCC2)C(CC1)OC(=O)C)=O)=O
SPLASH splash10-0kdi-0910000000-85bf5e6e4e7c38657043
Source of Spectrum F-47-9100-8
Wiley ID 1257519