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4-Methyl-2-oxo-2H-chromen-7-yl 2,4,5-trichloro benzenesulfonate
SpectraBase Compound ID 1sbpa1YELbL
InChI InChI=1S/C16H9Cl3O5S/c1-8-4-16(20)23-14-5-9(2-3-10(8)14)24-25(21,22)15-7-12(18)11(17)6-13(15)19/h2-7H,1H3
InChIKey WCEIICCCLMBZPU-UHFFFAOYSA-N
Mol Weight 419.66 g/mol
Molecular Formula C16H9Cl3O5S
Exact Mass 417.923628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SgAPJwa4OZ
Name 4-Methyl-2-oxo-2H-chromen-7-yl 2,4,5-trichloro benzenesulfonate
Alternate Name(s) 4-Methyl-2-oxo-2H-chromen-7-yl 2,4,5-trichlorobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9Cl3O5S
InChI InChI=1S/C16H9Cl3O5S/c1-8-4-16(20)23-14-5-9(2-3-10(8)14)24-25(21,22)15-7-12(18)11(17)6-13(15)19/h2-7H,1H3
InChIKey WCEIICCCLMBZPU-UHFFFAOYSA-N
Molecular Weight 419.662 g/mol
SMILES c1(c(cc(c(c1)Cl)Cl)Cl)S(=O)(=O)Oc1ccc2C(=CC(Oc2c1)=O)C
SPLASH splash10-00mp-2930500000-90ffc487c1d73b77d4b6
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816438