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3-Hydroxy-2-(phenylseleno)propenoic Acid Methyl Ester p-Toluenesulfonate
SpectraBase Compound ID 6s0w3HskZLe
InChI InChI=1S/C17H16O5SSe/c1-13-8-10-14(11-9-13)23(19,20)22-12-16(17(18)21-2)24-15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+
InChIKey UGXXAMMBEQQAAB-FOWTUZBSSA-N
Mol Weight 411.34 g/mol
Molecular Formula C17H16O5SSe
Exact Mass 411.988367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVnjEtLc7LU
Name 3-Hydroxy-2-(phenylseleno)propenoic Acid Methyl Ester p-Toluenesulfonate
Alternate Name(s) Methyl (2E)-3-{[(4-methylphenyl)sulfonyl]oxy}-2-(phenylselanyl)-2-propenoate
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Formula C17H16O5SSe
InChI InChI=1S/C17H16O5SSe/c1-13-8-10-14(11-9-13)23(19,20)22-12-16(17(18)21-2)24-15-6-4-3-5-7-15/h3-12H,1-2H3/b16-12+
InChIKey UGXXAMMBEQQAAB-FOWTUZBSSA-N
Molecular Weight 411.342 g/mol
SMILES C(\C(=C/OS(c1ccc(cc1)C)(=O)=O)[Se]c1ccccc1)(=O)OC
SPLASH splash10-0a4l-4910100000-8051df92471272932acb
Source of Spectrum J-56-2786-11
Wiley ID 1374276