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5-(4-Bromophenyl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
SpectraBase Compound ID 5MoFbPU6Oas
InChI InChI=1S/C18H18BrNO3S/c1-13-2-8-18(9-3-13)24(22,23)20-11-15(10-17(21)12-20)14-4-6-16(19)7-5-14/h2-10,17,21H,11-12H2,1H3
InChIKey UYQVTLMCZARVCY-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 e1LnuOXjs
Name 5-(4-Bromophenyl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
Appearance Pale yellow solid
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Exact Mass 407.019077615 u
Formula C18H18BrNO3S
InChI InChI=1S/C18H18BrNO3S/c1-13-2-8-18(9-3-13)24(22,23)20-11-15(10-17(21)12-20)14-4-6-16(19)7-5-14/h2-10,17,21H,11-12H2,1H3
InChIKey UYQVTLMCZARVCY-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 408.310 g/mol
Reported Formula C18H18BrNO3S
SMILES OC1C=C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)C1=CC=C(C=C1)Br
SPLASH splash10-0a59-0931200000-3f638070b7b321b72d4d
Source of Spectrum QE-29-SM25-3af (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.45 (50% EtOAc/toluene)
Wiley ID 1909445