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2,2,3,3,3-Pentafluoro-N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)-N-propylpropanamide
SpectraBase Compound ID JniN258PTaE
InChI InChI=1S/C16H20F5NOS/c1-4-9-22(14(23)15(17,18)16(19,20)21)11(2)10-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKey CQKMMENUHIVWEE-UHFFFAOYSA-N
Mol Weight 369.39 g/mol
Molecular Formula C16H20F5NOS
Exact Mass 369.118576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1lvv7inCm5
Name 2,2,3,3,3-Pentafluoro-N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)-N-propylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 369.118576256 u
Formula C16H20F5NOS
InChI InChI=1S/C16H20F5NOS/c1-4-9-22(14(23)15(17,18)16(19,20)21)11(2)10-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKey CQKMMENUHIVWEE-UHFFFAOYSA-N
Molecular Weight 369.394 g/mol
SMILES C1(=CC=C(C=C1)SC)CC(C)N(CCC)C(C(C(F)(F)F)(F)F)=O