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4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-nitrobenzenesulfonate)
SpectraBase Compound ID 64PBeRoEcp3
InChI InChI=1S/C22H14N2O12S2/c1-13-12-20(25)34-21-18(13)10-11-19(35-37(30,31)16-6-2-14(3-7-16)23(26)27)22(21)36-38(32,33)17-8-4-15(5-9-17)24(28)29/h2-12H,1H3
InChIKey SDFJSIYMSAJZCF-UHFFFAOYSA-N
Mol Weight 562.48 g/mol
Molecular Formula C22H14N2O12S2
Exact Mass 561.998816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78GvBVsIz44
Name 4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(4-nitrobenzenesulfonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N2O12S2
InChI InChI=1S/C22H14N2O12S2/c1-13-12-20(25)34-21-18(13)10-11-19(35-37(30,31)16-6-2-14(3-7-16)23(26)27)22(21)36-38(32,33)17-8-4-15(5-9-17)24(28)29/h2-12H,1H3
InChIKey SDFJSIYMSAJZCF-UHFFFAOYSA-N
Molecular Weight 562.476 g/mol
SMILES C1(C=C(c2ccc(c(c2O1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C)=O
SPLASH splash10-00bl-8912000000-45b054b70452ea39d1a9
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816429