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4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-chlorobenzenesulfonate)
SpectraBase Compound ID 7zhm4XL091d
InChI InChI=1S/C22H14Cl2O8S2/c1-13-12-20(25)30-21-18(13)10-11-19(31-33(26,27)16-6-2-14(23)3-7-16)22(21)32-34(28,29)17-8-4-15(24)5-9-17/h2-12H,1H3
InChIKey DUHKPKLWHGIILX-UHFFFAOYSA-N
Mol Weight 541.37 g/mol
Molecular Formula C22H14Cl2O8S2
Exact Mass 539.950715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DU7TVUBn6HZ
Name 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-chlorobenzenesulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14Cl2O8S2
InChI InChI=1S/C22H14Cl2O8S2/c1-13-12-20(25)30-21-18(13)10-11-19(31-33(26,27)16-6-2-14(23)3-7-16)22(21)32-34(28,29)17-8-4-15(24)5-9-17/h2-12H,1H3
InChIKey DUHKPKLWHGIILX-UHFFFAOYSA-N
Molecular Weight 541.372 g/mol
SMILES C1(C=C(c2ccc(c(c2O1)OS(=O)(=O)c1ccc(cc1)Cl)OS(=O)(=O)c1ccc(cc1)Cl)C)=O
SPLASH splash10-004i-3901000000-fe5659b5390daef78b22
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816430