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ETHYL-2-[3-(2,2-DIMETHYLPROPANOYL)-SELENOUREIDO]-4,5,6,7-TETRAHYDROBENZO-[1]-THIOPHENE-3-CARBOXYLATE-POTASSIUM-SALT
SpectraBase Compound ID 5d8wLm3pwSI
InChI InChI=1S/C17H24N2O3SSe.K/c1-5-22-14(20)12-10-8-6-7-9-11(10)23-13(12)18-16(24)19-15(21)17(2,3)4;/h5-9H2,1-4H3,(H2,18,19,20,21,24);/q;+1/p-1
InChIKey CGMGWCLKJPAAHM-UHFFFAOYSA-M
Mol Weight 453.51 g/mol
Molecular Formula C17H23KN2O3SSe
Exact Mass 454.023167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76AcI1VRtQk
Name ETHYL-2-[3-(2,2-DIMETHYLPROPANOYL)-SELENOUREIDO]-4,5,6,7-TETRAHYDROBENZO-[1]-THIOPHENE-3-CARBOXYLATE-POTASSIUM-SALT
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23KN2O3SSe
InChI InChI=1S/C17H24N2O3SSe.K/c1-5-22-14(20)12-10-8-6-7-9-11(10)23-13(12)18-16(24)19-15(21)17(2,3)4;/h5-9H2,1-4H3,(H2,18,19,20,21,24);/q;+1/p-1
InChIKey CGMGWCLKJPAAHM-UHFFFAOYSA-M
Literature Reference Author J.SIBOR,D.ZUREK,O.HUMPA,P.PAZDERA
Literature Reference Citation MOLECULES,5,37(2000)
Literature Reference DOI 10.3390/50100037
Molecular Weight 453.500 g/mol
Solvent DMSO-D6
Source File Reference UWVN7173