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9-Methoxycarbonylpentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodecane-8-carboxylic acid
SpectraBase Compound ID KGNKusCmGiZ
InChI InChI=1S/C15H18O4/c1-19-13(18)15-8-4-2-6-10(8)11-7(3-5-9(11)15)14(6,15)12(16)17/h6-11H,2-5H2,1H3,(H,16,17)
InChIKey WJRGTXADEUYHQN-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIkZUkdOtaW
Name 9-Methoxycarbonylpentacyclo[6.4.0.0(2,10).0(3,7).0(4,9)]dodecane-8-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-19-13(18)15-8-4-2-6-10(8)11-7(3-5-9(11)15)14(6,15)12(16)17/h6-11H,2-5H2,1H3,(H,16,17)
InChIKey WJRGTXADEUYHQN-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES C12(C3(C4C(C2CC4)C2C1CCC32)C(=O)OC)C(=O)O