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Trifluoromethanesulfonic acid (1-besyl-5-bromo-3,6-dihydro-2H-pyridin-4-yl) ester
SpectraBase Compound ID H1KFQ9fgRFk
InChI InChI=1S/C12H11BrF3NO5S2/c13-10-8-17(23(18,19)9-4-2-1-3-5-9)7-6-11(10)22-24(20,21)12(14,15)16/h1-5H,6-8H2
InChIKey JKFNVXZMGXPYRG-UHFFFAOYSA-N
Mol Weight 450.24 g/mol
Molecular Formula C12H11BrF3NO5S2
Exact Mass 448.921412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjdPC6ZkFL
Name Trifluoromethanesulfonic acid (1-besyl-5-bromo-3,6-dihydro-2H-pyridin-4-yl) ester
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Formula C12H11BrF3NO5S2
InChI InChI=1S/C12H11BrF3NO5S2/c13-10-8-17(23(18,19)9-4-2-1-3-5-9)7-6-11(10)22-24(20,21)12(14,15)16/h1-5H,6-8H2
InChIKey JKFNVXZMGXPYRG-UHFFFAOYSA-N
Molecular Weight 450.241 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)CCC(=C1Br)OS(C(F)(F)F)(=O)=O
SPLASH splash10-004i-9403000000-60fe1961c14716d61741
Source of Spectrum QE-12-8339-2
Synonyms Trifluoromethanesulfonic acid [1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridin-4-yl] ester [1-(benzenesulfonyl)-5-bromo-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
Wiley ID 1587349