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5-Oxotetracyclo[5.5.1.0(4,13).0(10,13)]tridecane-1.beta.-carboxylic acid
SpectraBase Compound ID DudPX8tJthK
InChI InChI=1S/C14H18O3/c15-11-7-9-2-1-8-3-5-13(12(16)17)6-4-10(11)14(8,9)13/h8-10H,1-7H2,(H,16,17)/t8?,9?,10?,13-,14?/m0/s1
InChIKey AXUJWRSZBTXKAQ-DYEFTCOQSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EInxtayXLK0
Name 5-Oxotetracyclo[5.5.1.0(4,13).0(10,13)]tridecane-1.beta.-carboxylic acid
Alternate Name(s) (2aR)-5-oxodecahydropentaleno[1,6-cd]pentalene-2a(2H)-carboxylic acid
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c15-11-7-9-2-1-8-3-5-13(12(16)17)6-4-10(11)14(8,9)13/h8-10H,1-7H2,(H,16,17)/t8?,9?,10?,13-,14?/m0/s1
InChIKey AXUJWRSZBTXKAQ-DYEFTCOQSA-N
Molecular Weight 234.295 g/mol
SMILES OC([C@@]12C34C(CC(C4CC1)=O)CCC3CC2)=O
SPLASH splash10-00kr-0910000000-fa925e4d0912d6401ff2
Source of Spectrum H-76-2845-8
Wiley ID 1236172