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4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(2,5-dichlorobenzenesulfonate)
SpectraBase Compound ID CoP5fcfFlJf
InChI InChI=1S/C22H12Cl4O8S2/c1-11-8-20(27)32-21-14(11)4-7-17(33-35(28,29)18-9-12(23)2-5-15(18)25)22(21)34-36(30,31)19-10-13(24)3-6-16(19)26/h2-10H,1H3
InChIKey XTKWMTSRBFEQAT-UHFFFAOYSA-N
Mol Weight 610.3 g/mol
Molecular Formula C22H12Cl4O8S2
Exact Mass 607.87277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQND8jXd2US
Name 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(2,5-dichlorobenzenesulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12Cl4O8S2
InChI InChI=1S/C22H12Cl4O8S2/c1-11-8-20(27)32-21-14(11)4-7-17(33-35(28,29)18-9-12(23)2-5-15(18)25)22(21)34-36(30,31)19-10-13(24)3-6-16(19)26/h2-10H,1H3
InChIKey XTKWMTSRBFEQAT-UHFFFAOYSA-N
Molecular Weight 610.262 g/mol
SMILES C1(C=C(c2ccc(c(c2O1)OS(=O)(=O)c1c(ccc(c1)Cl)Cl)OS(=O)(=O)c1c(ccc(c1)Cl)Cl)C)=O
SPLASH splash10-0002-3952201000-20f3c8647e7c294ddb18
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816437