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TERT.-BUTYL-3-OXO-3-[1-METHYL-4-BROMO-2-(METHYLTHIO)-5-IMIDAZOLYL]-PROPANOATE
SpectraBase Compound ID HM9VlgjXRS2
InChI InChI=1S/C12H17BrN2O3S/c1-12(2,3)18-8(17)6-7(16)9-10(13)14-11(19-5)15(9)4/h6H2,1-5H3
InChIKey IAHTWHWOKIRNLC-UHFFFAOYSA-N
Mol Weight 349.24 g/mol
Molecular Formula C12H17BrN2O3S
Exact Mass 348.014327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BRdg4arNNu
Name TERT.-BUTYL-3-OXO-3-[1-METHYL-4-BROMO-2-(METHYLTHIO)-5-IMIDAZOLYL]-PROPANOATE
CAS Registry Number 138407-31-5
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17BrN2O3S
InChI InChI=1S/C12H17BrN2O3S/c1-12(2,3)18-8(17)6-7(16)9-10(13)14-11(19-5)15(9)4/h6H2,1-5H3
InChIKey IAHTWHWOKIRNLC-UHFFFAOYSA-N
Literature Reference Author D.E.BIERER,J.F.O'CONNELL,J.R.PARQUETTE,C.M.THOMPSON,H.RAPOPO RT
Literature Reference Citation J.ORG.CHEM.,57,1390(1992)
Literature Reference DOI 10.1021/jo00031a017
Molecular Weight 349.243 g/mol
Solvent CDCl3
Source File Reference UWCS12621