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4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, tms derivative

View entire compound with spectra: 1 NMR

4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, tms derivative
SpectraBase Compound ID LmHbqrrcW3X
InChI InChI=1S/C15H19ClN2O3Si/c1-22(2,3)21-14(19)6-4-5-13-17-15(18-20-13)11-7-9-12(16)10-8-11/h7-10H,4-6H2,1-3H3
InChIKey ZZIZEPYZFVGTNJ-UHFFFAOYSA-N
Mol Weight 338.87 g/mol
Molecular Formula C15H19ClN2O3Si
Exact Mass 338.085347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcziWIxeVtZ
Name 4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 338.085346712 u
Formula C15H19ClN2O3Si
InChI InChI=1S/C15H19ClN2O3Si/c1-22(2,3)21-14(19)6-4-5-13-17-15(18-20-13)11-7-9-12(16)10-8-11/h7-10H,4-6H2,1-3H3
InChIKey ZZIZEPYZFVGTNJ-UHFFFAOYSA-N
Molecular Weight 338.866 g/mol
SMILES C1(Cl)=CC=C(C=C1)C1=NOC(=N1)CCCC(=O)O[Si](C)(C)C