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2-ACETOXY-2-[4-NITRO-1-(TETRAHYDROPYRAN-2-YL)-IMIDAZOL-5-YL]-ACETONITRILE;2-ISOMERS

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2-ACETOXY-2-[4-NITRO-1-(TETRAHYDROPYRAN-2-YL)-IMIDAZOL-5-YL]-ACETONITRILE;2-ISOMERS
SpectraBase Compound ID 61oj99K8tZh
InChI InChI=1S/2C12H14N4O5/c2*1-8(17)21-9(6-13)11-12(16(18)19)14-7-15(11)10-4-2-3-5-20-10/h2*7,9-10H,2-5H2,1H3
InChIKey XMJSYRJQABQXEA-UHFFFAOYSA-N
Mol Weight 588.53 g/mol
Molecular Formula C24H28N8O10
Exact Mass 588.192839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGfIQh1BgxY
Name 2-ACETOXY-2-[4-NITRO-1-(TETRAHYDROPYRAN-2-YL)-IMIDAZOL-5-YL]-ACETONITRILE;2-ISOMERS
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28N8O10
InChI InChI=1S/2C12H14N4O5/c2*1-8(17)21-9(6-13)11-12(16(18)19)14-7-15(11)10-4-2-3-5-20-10/h2*7,9-10H,2-5H2,1H3
InChIKey XMJSYRJQABQXEA-UHFFFAOYSA-N
Literature Reference Author D.C.J.WU,C.J.CHEER,R.P.PANZICA,E.ABUSHANAB
Literature Reference Citation J.ORG.CHEM.,47,2661(1982)
Literature Reference DOI 10.1021/jo00134a029
Molecular Weight 588.534 g/mol
Solvent DMSO-D6
Source File Reference UWCS8934