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6-CYANO-2-NITROOXYMETHYL-5-METHYLIMIDAZO-[2,1-A]-ISOQUINOLINE-3-CARBOXYLATE
SpectraBase Compound ID GPnRLIv4eMY
InChI InChI=1S/C17H14N4O5/c1-3-25-17(22)15-14(9-26-21(23)24)19-16-12-7-5-4-6-11(12)13(8-18)10(2)20(15)16/h4-7H,3,9H2,1-2H3
InChIKey IIZDWZQZTMMSAH-UHFFFAOYSA-N
Mol Weight 354.32 g/mol
Molecular Formula C17H14N4O5
Exact Mass 354.09642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NC4H1nmE6Y
Name 6-CYANO-2-NITROOXYMETHYL-5-METHYLIMIDAZO-[2,1-A]-ISOQUINOLINE-3-CARBOXYLATE
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14N4O5
InChI InChI=1S/C17H14N4O5/c1-3-25-17(22)15-14(9-26-21(23)24)19-16-12-7-5-4-6-11(12)13(8-18)10(2)20(15)16/h4-7H,3,9H2,1-2H3
InChIKey IIZDWZQZTMMSAH-UHFFFAOYSA-N
Literature Reference Author L.W.DEADY,S.M.DEVINE
Literature Reference Citation J.HETCYCL.CHEM.,41,549(2004)
Literature Reference DOI 10.1002/jhet.5570410411
Molecular Weight 354.322 g/mol
Solvent CDCl3
Source File Reference UWLU22428