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KCTMQYXUKPHMLQ-UHFFFAOYSA-M
SpectraBase Compound ID KJ0Za88T3fo
InChI InChI=1S/C9H12O3S.C5H11N2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-8(7)5-3-4-6/h4-5H,1-3H3,(H,10,11,12);2-3,5,7H2,1H3/q;+1/p-1
InChIKey KCTMQYXUKPHMLQ-UHFFFAOYSA-M
Mol Weight 330.46 g/mol
Molecular Formula C14H22N2O3S2
Exact Mass 330.107185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g98gXsYwdX
Name KCTMQYXUKPHMLQ-UHFFFAOYSA-M
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22N2O3S2
InChI InChI=1S/C9H12O3S.C5H11N2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-8(7)5-3-4-6/h4-5H,1-3H3,(H,10,11,12);2-3,5,7H2,1H3/q;+1/p-1
InChIKey KCTMQYXUKPHMLQ-UHFFFAOYSA-M
Literature Reference Author W.FRANEK,P.K.CLAUS
Literature Reference Citation MH.CHEM.,121,539(1990)
Literature Reference DOI 10.1007/BF00810863
Molecular Weight 330.460 g/mol
Solvent CD3CN
Source File Reference UWED9834