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1-Phenyl-2-(phenylseleno)-1-propen-1-ol p-Toluenesulfonate
SpectraBase Compound ID 7Npnylkon4Z
InChI InChI=1S/C22H20O3SSe/c1-17-13-15-20(16-14-17)26(23,24)25-22(19-9-5-3-6-10-19)18(2)27-21-11-7-4-8-12-21/h3-16H,1-2H3/b22-18+
InChIKey RTTMAIINZZNYNM-RELWKKBWSA-N
Mol Weight 443.43 g/mol
Molecular Formula C22H20O3SSe
Exact Mass 444.029838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAl1PY9pI5B
Name 1-Phenyl-2-(phenylseleno)-1-propen-1-ol p-Toluenesulfonate
Alternate Name(s) (1E)-1-phenyl-2-(phenylselanyl)-1-propenyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O3SSe
InChI InChI=1S/C22H20O3SSe/c1-17-13-15-20(16-14-17)26(23,24)25-22(19-9-5-3-6-10-19)18(2)27-21-11-7-4-8-12-21/h3-16H,1-2H3/b22-18+
InChIKey RTTMAIINZZNYNM-RELWKKBWSA-N
Molecular Weight 443.431 g/mol
SMILES c1([Se]\C(=C/(OS(c2ccc(cc2)C)(=O)=O)c2ccccc2)C)ccccc1
SPLASH splash10-0690-6910000000-6c17649d832423302602
Source of Spectrum J-56-2785-6
Wiley ID 1385918