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3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl butane-1-sulfonate
SpectraBase Compound ID Icneb2ueGln
InChI InChI=1S/C15H15NO5S/c1-3-4-7-22(18,19)21-11-5-6-12-10(2)13(9-16)15(17)20-14(12)8-11/h5-6,8H,3-4,7H2,1-2H3
InChIKey NEBWPWRWQQISIY-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rZilI1r56H
Name 3-Cyano-4-methyl-2-oxo-2H-chromen-7-yl butane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO5S
InChI InChI=1S/C15H15NO5S/c1-3-4-7-22(18,19)21-11-5-6-12-10(2)13(9-16)15(17)20-14(12)8-11/h5-6,8H,3-4,7H2,1-2H3
InChIKey NEBWPWRWQQISIY-UHFFFAOYSA-N
Molecular Weight 321.347 g/mol
SMILES C(CCC)S(=O)(=O)Oc1ccc2C(=C(C(Oc2c1)=O)C#N)C
SPLASH splash10-0uk9-7894000000-3efb11175bd69957ade9
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816420