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2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, tms

View entire compound with spectra: 1 NMR

2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, tms
SpectraBase Compound ID DZ5n53dv0ri
InChI InChI=1S/C14H14F3NO2SSi/c1-22(2,3)20-13(19)11-8-18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3
InChIKey WFNYDJGLAHWNHE-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C14H14F3NO2SSi
Exact Mass 345.046661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYh08xw9Oze
Name 2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 345.046660891 u
Formula C14H14F3NO2SSi
InChI InChI=1S/C14H14F3NO2SSi/c1-22(2,3)20-13(19)11-8-18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-8H,1-3H3
InChIKey WFNYDJGLAHWNHE-UHFFFAOYSA-N
Molecular Weight 345.411 g/mol
SMILES C(O[Si](C)(C)C)(=O)C=1SC(C2=CC=C(C=C2)C(F)(F)F)=NC1