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4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(octane-1-sulfonate)
SpectraBase Compound ID 4cmRAhcCpOx
InChI InChI=1S/C26H40O8S2/c1-4-6-8-10-12-14-18-35(28,29)33-23-17-16-22-21(3)20-24(27)32-25(22)26(23)34-36(30,31)19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3
InChIKey LAVAXGPTSBTVAF-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C26H40O8S2
Exact Mass 544.216461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3DTEq0ios4
Name 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(octane-1-sulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O8S2
InChI InChI=1S/C26H40O8S2/c1-4-6-8-10-12-14-18-35(28,29)33-23-17-16-22-21(3)20-24(27)32-25(22)26(23)34-36(30,31)19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3
InChIKey LAVAXGPTSBTVAF-UHFFFAOYSA-N
Molecular Weight 544.718 g/mol
SMILES C1(C=C(c2ccc(c(c2O1)OS(=O)(=O)CCCCCCCC)OS(=O)(=O)CCCCCCCC)C)=O
SPLASH splash10-0006-9503000000-a57b1808e4cacca2cff8
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816439