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2-[(1-BENZYLOXYMETHYL-4-TERT.-BUTYL-5-IODO-1H-IMIDAZOL-2-YL)-THIO]-ACETAMIDE
SpectraBase Compound ID 3JeAjmZjlpY
InChI InChI=1S/C17H22IN3O2S/c1-17(2,3)14-15(18)21(16(20-14)24-10-13(19)22)11-23-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,22)
InChIKey QRTFJMILKMQRJX-UHFFFAOYSA-N
Mol Weight 459.35 g/mol
Molecular Formula C17H22IN3O2S
Exact Mass 459.047743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOFG4RhbFcz
Name 2-[(1-BENZYLOXYMETHYL-4-TERT.-BUTYL-5-IODO-1H-IMIDAZOL-2-YL)-THIO]-ACETAMIDE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22IN3O2S
InChI InChI=1S/C17H22IN3O2S/c1-17(2,3)14-15(18)21(16(20-14)24-10-13(19)22)11-23-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,19,22)
InChIKey QRTFJMILKMQRJX-UHFFFAOYSA-N
Literature Reference Author A.A.EL-BARBARY,M.A.EL-BADAWI
Literature Reference Citation J.HETCYCL.CHEM.,40,593(2003)
Literature Reference DOI 10.1002/jhet.5570400406
Molecular Weight 459.345 g/mol
Solvent CDCl3
Source File Reference UWMS22633