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2-oxo-2-[3-(Trifluoromethyl)anilino]ethyl diethyldithiocarbamate

View entire compound with spectra: 2 NMR

2-oxo-2-[3-(Trifluoromethyl)anilino]ethyl diethyldithiocarbamate
SpectraBase Compound ID IRmnJ34Sr1n
InChI InChI=1S/C14H17F3N2OS2/c1-3-19(4-2)13(21)22-9-12(20)18-11-7-5-6-10(8-11)14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,20)
InChIKey BUCQIHFQGJGTPX-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C14H17F3N2OS2
Exact Mass 350.07344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jnb6g6bysC7
Name 2-oxo-2-[3-(Trifluoromethyl)anilino]ethyl diethyldithiocarbamate
Comments Computed using HOSE algorithm
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Exact Mass 350.073440011 u
Formula C14H17F3N2OS2
InChI InChI=1S/C14H17F3N2OS2/c1-3-19(4-2)13(21)22-9-12(20)18-11-7-5-6-10(8-11)14(15,16)17/h5-8H,3-4,9H2,1-2H3,(H,18,20)
InChIKey BUCQIHFQGJGTPX-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES N(C(=O)CSC(=S)N(CC)CC)C1=CC(C(F)(F)F)=CC=C1