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4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-propyl benzenesulfonate)
SpectraBase Compound ID GD3wAfaqD19
InChI InChI=1S/C28H28O8S2/c1-4-6-20-8-12-22(13-9-20)37(30,31)35-25-17-16-24-19(3)18-26(29)34-27(24)28(25)36-38(32,33)23-14-10-21(7-5-2)11-15-23/h8-18H,4-7H2,1-3H3
InChIKey NNBIFSZWBYQILY-UHFFFAOYSA-N
Mol Weight 556.64 g/mol
Molecular Formula C28H28O8S2
Exact Mass 556.12256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rKo4LCKije
Name 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-propyl benzenesulfonate)
Alternate Name(s) 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-propylbenzenesulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O8S2
InChI InChI=1S/C28H28O8S2/c1-4-6-20-8-12-22(13-9-20)37(30,31)35-25-17-16-24-19(3)18-26(29)34-27(24)28(25)36-38(32,33)23-14-10-21(7-5-2)11-15-23/h8-18H,4-7H2,1-3H3
InChIKey NNBIFSZWBYQILY-UHFFFAOYSA-N
Molecular Weight 556.644 g/mol
SMILES C1(C=C(c2ccc(c(c2O1)OS(=O)(=O)c1ccc(cc1)CCC)OS(=O)(=O)c1ccc(cc1)CCC)C)=O
SPLASH splash10-00sl-5902000000-27d852ff9a1003239efa
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816432