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2-{[(p-CHLOROPHENYL)THIO]METHYL}-5-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-1,3,4-OXADIAZOLE
SpectraBase Compound ID khe1xdMTRv
InChI InChI=1S/C16H10ClF3N2OS/c17-10-5-7-11(8-6-10)24-9-14-21-22-15(23-14)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2
InChIKey ARDGKOLYBRASLE-UHFFFAOYSA-N
Mol Weight 370.78 g/mol
Molecular Formula C16H10ClF3N2OS
Exact Mass 370.015446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GWxzpjPIji
Name 2-{[(p-chlorophenyl)thio]methyl}-5-(alpha,alpha,alpha-trifluoro-o-tolyl)-1,3,4-oxadiazole
Comments Computed using HOSE algorithm
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Exact Mass 370.015446312 u
Formula C16H10ClF3N2OS
InChI InChI=1S/C16H10ClF3N2OS/c17-10-5-7-11(8-6-10)24-9-14-21-22-15(23-14)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2
InChIKey ARDGKOLYBRASLE-UHFFFAOYSA-N
Molecular Weight 370.777 g/mol
SMILES C(F)(F)(F)C1=CC=CC=C1C1=NN=C(O1)CSC=1C=CC(=CC1)Cl