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5-(2-Bromophenyl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
SpectraBase Compound ID FnCXeyQmMC0
InChI InChI=1S/C18H18BrNO3S/c1-13-6-8-16(9-7-13)24(22,23)20-11-14(10-15(21)12-20)17-4-2-3-5-18(17)19/h2-10,15,21H,11-12H2,1H3
InChIKey BPSXLOCKHVZDAN-UHFFFAOYSA-N
Mol Weight 408.31 g/mol
Molecular Formula C18H18BrNO3S
Exact Mass 407.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jFk1bX1FT8
Name 5-(2-Bromophenyl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
Appearance Pale yellow oil
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Exact Mass 407.019077615 u
Formula C18H18BrNO3S
InChI InChI=1S/C18H18BrNO3S/c1-13-6-8-16(9-7-13)24(22,23)20-11-14(10-15(21)12-20)17-4-2-3-5-18(17)19/h2-10,15,21H,11-12H2,1H3
InChIKey BPSXLOCKHVZDAN-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 408.310 g/mol
Quality 81
Reported Formula C18H18BrNO3S
SMILES OC1C=C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)C1=CC=CC=C1Br
SPLASH splash10-0532-0920000000-fdb4ca0f1827ccf81d17
Source of Spectrum QE-29-SM26-3ah (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.45 (50% EtOAc/toluene)
Wiley ID 1909447