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perchlorophenyl (2,2,2-trichloroethyl) sulfate
SpectraBase Compound ID K8DNN2uF0k6
InChI InChI=1S/C8H2Cl8O4S/c9-2-3(10)5(12)7(6(13)4(2)11)20-21(17,18)19-1-8(14,15)16/h1H2
InChIKey ZSKXLVMWRCVYCB-UHFFFAOYSA-N
Mol Weight 477.8 g/mol
Molecular Formula C8H2Cl8O4S
Exact Mass 473.718201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LglsFVLYbFR
Name perchlorophenyl (2,2,2-trichloroethyl) sulfate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H2Cl8O4S
InChI InChI=1S/C8H2Cl8O4S/c9-2-3(10)5(12)7(6(13)4(2)11)20-21(17,18)19-1-8(14,15)16/h1H2
InChIKey ZSKXLVMWRCVYCB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.chemosphere.2013.06.087
Molecular Weight 477.784 g/mol
SMILES c1(c(c(c(c(c1Cl)Cl)Cl)OS(OCC(Cl)(Cl)Cl)(=O)=O)Cl)Cl
SPLASH splash10-014r-2590100000-1be77cabc5767a861322
Source of Spectrum Hans-Joachim Lehmler, et al. Chemosphere, 10.1016/j.chemosphere.2013.06.087
Wiley ID 1816530