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3-(trifluoromethyl)phenyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate

View entire compound with spectra: 2 NMR

3-(trifluoromethyl)phenyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
SpectraBase Compound ID CaOSlESgg99
InChI InChI=1S/C16H10F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)23-14(21)9-20-12-6-1-2-7-13(12)24-15(20)22/h1-8H,9H2
InChIKey XMVMXPVKFZTCST-UHFFFAOYSA-N
Mol Weight 353.32 g/mol
Molecular Formula C16H10F3NO3S
Exact Mass 353.033349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqvOTREdAXh
Name 3-(Trifluoromethyl)phenyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 353.033348846 u
Formula C16H10F3NO3S
InChI InChI=1S/C16H10F3NO3S/c17-16(18,19)10-4-3-5-11(8-10)23-14(21)9-20-12-6-1-2-7-13(12)24-15(20)22/h1-8H,9H2
InChIKey XMVMXPVKFZTCST-UHFFFAOYSA-N
Molecular Weight 353.315 g/mol
SMILES C=1C=CC=2N(C(SC2C1)=O)CC(OC=1C=C(C(F)(F)F)C=CC1)=O