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2,2,2-trichloroethyl (2,4,6-trichlorophenyl) sulfate
SpectraBase Compound ID 7TA5hXRreCS
InChI InChI=1S/C8H4Cl6O4S/c9-4-1-5(10)7(6(11)2-4)18-19(15,16)17-3-8(12,13)14/h1-2H,3H2
InChIKey PCUGLDBZLIJISH-UHFFFAOYSA-N
Mol Weight 408.9 g/mol
Molecular Formula C8H4Cl6O4S
Exact Mass 405.796146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ybsfiE3E1f
Name 2,2,2-trichloroethyl (2,4,6-trichlorophenyl) sulfate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Cl6O4S
InChI InChI=1S/C8H4Cl6O4S/c9-4-1-5(10)7(6(11)2-4)18-19(15,16)17-3-8(12,13)14/h1-2H,3H2
InChIKey PCUGLDBZLIJISH-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.chemosphere.2013.06.087
Molecular Weight 408.894 g/mol
SMILES c1c(c(c(cc1Cl)Cl)OS(OCC(Cl)(Cl)Cl)(=O)=O)Cl
SPLASH splash10-00kb-2910000000-d7276b15832c89a9cfe8
Source of Spectrum Hans-Joachim Lehmler, et al. Chemosphere, 10.1016/j.chemosphere.2013.06.087
Wiley ID 1816528