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5-Benzenesulfonyloxy-2-iodo-3-methoxyphenol
SpectraBase Compound ID 8L2sxlfyyNL
InChI InChI=1S/C13H11IO5S/c1-18-12-8-9(7-11(15)13(12)14)19-20(16,17)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKey JVIAYTTVDBLVNW-UHFFFAOYSA-N
Mol Weight 406.19 g/mol
Molecular Formula C13H11IO5S
Exact Mass 405.93719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMkwkiWohdv
Name 5-Benzenesulfonyloxy-2-iodo-3-methoxyphenol
CAS Registry Number 139220-55-6
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1371895 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11IO5S
InChI InChI=1S/C13H11IO5S/c1-18-12-8-9(7-11(15)13(12)14)19-20(16,17)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKey JVIAYTTVDBLVNW-UHFFFAOYSA-N
Molecular Weight 406.190 g/mol
SMILES Oc1cc(OS(=O)(=O)c2ccccc2)cc(c1I)OC
SPLASH splash10-0bt9-0083900000-0caf07f86ce8930f58b5
Source of Spectrum K-125-1504-6
Synonyms 3-Hydroxy-4-iodo-5-methoxyphenyl benzenesulfonate
Wiley ID 1821109