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Methyl 7-oxobicyclo[3.3.1]nonane-3-acetoacetate
SpectraBase Compound ID 84TDLDe7UHD
InChI InChI=1S/C13H18O4/c1-17-13(16)12(15)7-10-3-8-2-9(4-10)6-11(14)5-8/h8-10H,2-7H2,1H3/t8-,9+,10?
InChIKey PJLYCUZTZGTWIZ-ULKQDVFKSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FirDubhfsM
Name Methyl 7-oxobicyclo[3.3.1]nonane-3-acetoacetate
Alternate Name(s) Methyl 2-oxo-3-(7-oxobicyclo[3.3.1]non-3-yl)propanoate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-17-13(16)12(15)7-10-3-8-2-9(4-10)6-11(14)5-8/h8-10H,2-7H2,1H3/t8-,9+,10?
InChIKey PJLYCUZTZGTWIZ-ULKQDVFKSA-N
Molecular Weight 238.283 g/mol
SMILES C(C(=O)OC)(CC1C[C@]2(CC(C[C@@](C1)(C2)[H])=O)[H])=O
SPLASH splash10-0ufr-0900000000-b0238db7ccc37d0f07e8
Source of Spectrum C-118-7082-32
Wiley ID 759668