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N-[4-Phenyl-1-(trifluoromethyl)-3-butenyl]-tosylamide
SpectraBase Compound ID 2zNoJUwpkWp
InChI InChI=1S/C18H18F3NO2S/c1-14-10-12-16(13-11-14)25(23,24)22-17(18(19,20)21)9-5-8-15-6-3-2-4-7-15/h2-8,10-13,17,22H,9H2,1H3/b8-5+
InChIKey WWDZXXIRJWAKEV-VMPITWQZSA-N
Mol Weight 369.4 g/mol
Molecular Formula C18H18F3NO2S
Exact Mass 369.101034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jpwQCBLzpX
Name N-[4-Phenyl-1-(trifluoromethyl)-3-butenyl]-tosylamide
Comments Computed using HOSE algorithm
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Exact Mass 369.101034485 u
Formula C18H18F3NO2S
InChI InChI=1S/C18H18F3NO2S/c1-14-10-12-16(13-11-14)25(23,24)22-17(18(19,20)21)9-5-8-15-6-3-2-4-7-15/h2-8,10-13,17,22H,9H2,1H3/b8-5+
InChIKey WWDZXXIRJWAKEV-VMPITWQZSA-N
Molecular Weight 369.402 g/mol
SMILES C1(S(=O)(=O)NC(C(F)(F)F)C\C=C\C2=CC=CC=C2)=CC=C(C=C1)C