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3-(Triphenylplumbyl)propionic acid, methyl ester
SpectraBase Compound ID L5RsNy0pPQw
InChI InChI=1S/3C6H5.C4H7O2.Pb/c3*1-2-4-6-5-3-1;1-3-4(5)6-2;/h3*1-5H;1,3H2,2H3;
InChIKey RCZVJNPVSLIGOH-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C22H22O2Pb
Exact Mass 526.138632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HqiEqEAywv
Name 3-(Triphenylplumbyl)propionic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 526.138631946 u
Formula C22H22O2Pb
InChI InChI=1S/3C6H5.C4H7O2.Pb/c3*1-2-4-6-5-3-1;1-3-4(5)6-2;/h3*1-5H;1,3H2,2H3;
InChIKey RCZVJNPVSLIGOH-UHFFFAOYSA-N
Molecular Weight 525.626 g/mol
SMILES C=1([Pb](CCC(OC)=O)(C=2C=CC=CC2)C=2C=CC=CC2)C=CC=CC1