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1,2,3,6-Tetrahydro-1-[(alpha,alpha,alpha-trifluoro-m-tolyl)sulfonyl]pyridine
SpectraBase Compound ID J2cZQOjJLUV
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-5-4-6-11(9-10)19(17,18)16-7-2-1-3-8-16/h1-2,4-6,9H,3,7-8H2
InChIKey LXWVQGIACCNPLK-UHFFFAOYSA-N
Mol Weight 291.29 g/mol
Molecular Formula C12H12F3NO2S
Exact Mass 291.054084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3HDRokZfw6
Name 1,2,3,6-Tetrahydro-1-[(alpha,alpha,alpha-trifluoro-m-tolyl)sulfonyl]pyridine
Comments Computed using HOSE algorithm
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Exact Mass 291.054084291 u
Formula C12H12F3NO2S
InChI InChI=1S/C12H12F3NO2S/c13-12(14,15)10-5-4-6-11(9-10)19(17,18)16-7-2-1-3-8-16/h1-2,4-6,9H,3,7-8H2
InChIKey LXWVQGIACCNPLK-UHFFFAOYSA-N
Molecular Weight 291.288 g/mol
SMILES C(F)(F)(F)C=1C=C(S(N2CC=CCC2)(=O)=O)C=CC1