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O-[(S)-1,2-Dimethyl-3-(pyridin-3-yl)propyl]Imidazole-1-carbothioate
SpectraBase Compound ID 1LrLyAc8AAW
InChI InChI=1S/2C14H17N3OS/c2*1-11(8-13-4-3-5-15-9-13)12(2)18-14(19)17-7-6-16-10-17/h2*3-7,9-12H,8H2,1-2H3/t2*11-,12?/m00/s1
InChIKey MWJOARPXEQQGIE-QUFXTTTDSA-N
Mol Weight 550.74 g/mol
Molecular Formula C28H34N6O2S2
Exact Mass 550.218467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wIQI8czxwx
Name O-[(S)-1,2-DIMETHYL-3-(PYRIDIN-3-YL)-PROPYL]-IMIDAZOLE-1-CARBOTHIOATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N6O2S2
InChI InChI=1S/2C14H17N3OS/c2*1-11(8-13-4-3-5-15-9-13)12(2)18-14(19)17-7-6-16-10-17/h2*3-7,9-12H,8H2,1-2H3/t2*11-,12?/m00/s1
InChIKey MWJOARPXEQQGIE-QUFXTTTDSA-N
Literature Reference Author T.MUELLER,K.DETTNER,K.SEIFERT
Literature Reference Citation EUR.J.ORG.CHEM.,2011,6032(2011)
Literature Reference DOI 10.1002/ejoc.201100612
Molecular Weight 550.737 g/mol
Solvent CDCl3
Source File Reference UWBT21062