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2-(4-Chlorobenzoyl)benzoic acid, tms
SpectraBase Compound ID KyjxyzFge0o
InChI InChI=1S/C17H17ClO3Si/c1-22(2,3)21-17(20)15-7-5-4-6-14(15)16(19)12-8-10-13(18)11-9-12/h4-11H,1-3H3
InChIKey WPWKZFPTSPYDOJ-UHFFFAOYSA-N
Mol Weight 332.86 g/mol
Molecular Formula C17H17ClO3Si
Exact Mass 332.063549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dbv7EUoGHNC
Name 2-(4-Chlorobenzoyl)benzoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 332.063548639 u
Formula C17H17ClO3Si
InChI InChI=1S/C17H17ClO3Si/c1-22(2,3)21-17(20)15-7-5-4-6-14(15)16(19)12-8-10-13(18)11-9-12/h4-11H,1-3H3
InChIKey WPWKZFPTSPYDOJ-UHFFFAOYSA-N
Molecular Weight 332.858 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=CC=C1)C(=O)O[Si](C)(C)C