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MKEFNASBLTVHQH-UHFFFAOYSA-N

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MKEFNASBLTVHQH-UHFFFAOYSA-N
SpectraBase Compound ID LC2ag3AMzuZ
InChI InChI=1S/C13H15N3O3S.ClH/c1-3-19-12(18)8-6-15-10-9(20-13(15)14)5-4-7(2)16(10)11(8)17;/h6-7,14H,3-5H2,1-2H3;1H
InChIKey MKEFNASBLTVHQH-UHFFFAOYSA-N
Mol Weight 329.8 g/mol
Molecular Formula C13H16ClN3O3S
Exact Mass 329.06009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpD82b0EcXI
Name MKEFNASBLTVHQH-UHFFFAOYSA-N
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16ClN3O3S
InChI InChI=1S/C13H15N3O3S.ClH/c1-3-19-12(18)8-6-15-10-9(20-13(15)14)5-4-7(2)16(10)11(8)17;/h6-7,14H,3-5H2,1-2H3;1H
InChIKey MKEFNASBLTVHQH-UHFFFAOYSA-N
Literature Reference Author I.BITTER,G.TOTH,B.PETE,A.ALMASY,I.HERMECZ,Z.MESZAROS
Literature Reference Citation HETEROCYCLES,23,2289(1985)
Literature Reference DOI 10.3987/R-1985-09-2289
Molecular Weight 329.801 g/mol
Solvent DMSO-D6
Source File Reference UWED5323