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(1R*,2R*,4S*,6R*)-6-Methyltricyclo[6.2.2.0(1,6)]dodecan-7,12-dion-2-carboxylic acid
SpectraBase Compound ID 1PKh14C8ha
InChI InChI=1S/C14H18O4/c1-13-5-2-3-9(12(17)18)14(13)6-4-8(11(13)16)10(15)7-14/h8-9H,2-7H2,1H3,(H,17,18)/t8?,9-,13-,14+/m0/s1
InChIKey OAESZDZVJLAXLI-RVJGDYTCSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3gTeGivwBr
Name (1R*,2R*,4S*,6R*)-6-Methyltricyclo[6.2.2.0(1,6)]dodecan-7,12-dion-2-carboxylic acid
Alternate Name(s) (1R,2R,6R)-6-methyl-7,9-dioxotricyclo[6.2.2.0(1,6)]dodecane-2-carboxylic acid
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-13-5-2-3-9(12(17)18)14(13)6-4-8(11(13)16)10(15)7-14/h8-9H,2-7H2,1H3,(H,17,18)/t8?,9-,13-,14+/m0/s1
InChIKey OAESZDZVJLAXLI-RVJGDYTCSA-N
Molecular Weight 250.294 g/mol
SMILES OC([C@]1([C@]23[C@](C(=O)C(CC3)C(C2)=O)(CCC1)C)[H])=O
SPLASH splash10-03di-1910000000-a31640ad97960295e302
Source of Spectrum F-51-9896-0
Wiley ID 793435