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LPBPKHVBRQLZEL-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

LPBPKHVBRQLZEL-UHFFFAOYSA-N
SpectraBase Compound ID RHULkc0fLy
InChI InChI=1S/C20H26F4N8O5S/c1-2-37-5-6-38-10-14(36)30-9-13(35)29-8-12(34)28-7-11(33)26-3-4-27-19-15(21)17(23)20(31-32-25)18(24)16(19)22/h27H,2-10H2,1H3,(H,26,33)(H,28,34)(H,29,35)(H,30,36)
InChIKey LPBPKHVBRQLZEL-UHFFFAOYSA-N
Mol Weight 566.53 g/mol
Molecular Formula C20H26F4N8O5S
Exact Mass 566.1683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QQ5gR5Ij8j
Name LPBPKHVBRQLZEL-UHFFFAOYSA-N
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26F4N8O5S
InChI InChI=1S/C20H26F4N8O5S/c1-2-37-5-6-38-10-14(36)30-9-13(35)29-8-12(34)28-7-11(33)26-3-4-27-19-15(21)17(23)20(31-32-25)18(24)16(19)22/h27H,2-10H2,1H3,(H,26,33)(H,28,34)(H,29,35)(H,30,36)
InChIKey LPBPKHVBRQLZEL-UHFFFAOYSA-N
Literature Reference Author R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI
Literature Reference Citation J.ORG.CHEM.,67,6748(2002)
Literature Reference DOI 10.1021/jo010782u
Molecular Weight 566.531 g/mol
Solvent DMSO
Source File Reference UWSI22083