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5-(2-Hydroxyethyl)-4-methyl-3-(2-oxo-2-selenophen-2-yl-ethyl)-thiazolium bromide
SpectraBase Compound ID AMoTNGEN7W
InChI InChI=1S/C12H14NO2SSe.BrH/c1-9-11(4-5-14)16-8-13(9)7-10(15)12-3-2-6-17-12;/h2-3,6,8,14H,4-5,7H2,1H3;1H/q+1;/p-1
InChIKey BPYQSCMXUCWHDO-UHFFFAOYSA-M
Mol Weight 395.185 g/mol
Molecular Formula C12H14BrNO2SSe
Exact Mass 394.909385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxY31Y14xqr
Name 5-(2-Hydroxyethyl)-4-methyl-3-(2-oxo-2-selenophen-2-yl-ethyl)-thiazolium bromide
Appearance Yellow crystals
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Formula C12H14BrNO2SSe
InChI InChI=1S/C12H14NO2SSe.BrH/c1-9-11(4-5-14)16-8-13(9)7-10(15)12-3-2-6-17-12;/h2-3,6,8,14H,4-5,7H2,1H3;1H/q+1;/p-1
InChIKey BPYQSCMXUCWHDO-UHFFFAOYSA-M
Ionization Type EI
Molecular Weight 395.185 g/mol
Reported Formula C12H14BrNO2SSe
SMILES OCCc1c([n+](cs1)CC(=O)c1[se]ccc1)C.[Br-]
SPLASH splash10-0bu0-0901000000-07902ddd4b6b43a0f851
Source of Spectrum CN1690057B
Wiley ID 1841676