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2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

View entire compound with spectra: 2 NMR

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 6qOxHYRSQF4
InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-24-15-21-12-7-3-4-8-13(12)23-15/h1-8H,9H2,(H,20,22)
InChIKey AYFJVNHENUJBSZ-UHFFFAOYSA-N
Mol Weight 352.33 g/mol
Molecular Formula C16H11F3N2O2S
Exact Mass 352.049333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfp1dBVh9LB
Name 2-(1,3-Benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 352.049333263 u
Formula C16H11F3N2O2S
InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-24-15-21-12-7-3-4-8-13(12)23-15/h1-8H,9H2,(H,20,22)
InChIKey AYFJVNHENUJBSZ-UHFFFAOYSA-N
Molecular Weight 352.331 g/mol
SMILES N(C1=C(C(F)(F)F)C=CC=C1)C(CSC1=NC=2C=CC=CC2O1)=O