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Benzyl-S-[1-[(N-4-methoxyphenyl)-imino]-2,2,2-trifluoroethyl]-thioglycolate
SpectraBase Compound ID E7TiIdcERlV
InChI InChI=1S/C18H16F3NO3S/c1-24-15-9-7-14(8-10-15)22-17(18(19,20)21)26-12-16(23)25-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/b22-17-
InChIKey RWGSJCBYTSAWNL-XLNRJJMWSA-N
Mol Weight 383.39 g/mol
Molecular Formula C18H16F3NO3S
Exact Mass 383.080299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NlQZhwAsHq
Name Benzyl-S-[1-[(N-4-methoxyphenyl)-imino]-2,2,2-trifluoroethyl]-thioglycolate
Comments Computed using HOSE algorithm
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Exact Mass 383.080299039 u
Formula C18H16F3NO3S
InChI InChI=1S/C18H16F3NO3S/c1-24-15-9-7-14(8-10-15)22-17(18(19,20)21)26-12-16(23)25-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3/b22-17-
InChIKey RWGSJCBYTSAWNL-XLNRJJMWSA-N
Molecular Weight 383.385 g/mol
SMILES C(F)(F)(F)\C(SCC(=O)OCC1=CC=CC=C1)=N\C1=CC=C(C=C1)OC