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5-(3,4-Dichloroanilino)-5-oxopentanoic acid, 1tms derivative

View entire compound with spectra: 1 NMR

5-(3,4-Dichloroanilino)-5-oxopentanoic acid, 1tms derivative
SpectraBase Compound ID CM4CiLEzlDD
InChI InChI=1S/C14H19Cl2NO3Si/c1-21(2,3)20-14(19)6-4-5-13(18)17-10-7-8-11(15)12(16)9-10/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKey NJDSXJVAOKYZQB-UHFFFAOYSA-N
Mol Weight 348.3 g/mol
Molecular Formula C14H19Cl2NO3Si
Exact Mass 347.051125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JczzYbqaPt
Name 5-(3,4-Dichloroanilino)-5-oxopentanoic acid, 1tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 347.051125408 u
Formula C14H19Cl2NO3Si
InChI InChI=1S/C14H19Cl2NO3Si/c1-21(2,3)20-14(19)6-4-5-13(18)17-10-7-8-11(15)12(16)9-10/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKey NJDSXJVAOKYZQB-UHFFFAOYSA-N
Molecular Weight 348.301 g/mol
SMILES C1(Cl)=C(C=CC(=C1)NC(=O)CCCC(=O)O[Si](C)(C)C)Cl