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DAPVBXNCDXKORT-UHFFFAOYSA-J

View entire compound with spectra: 1 NMR

DAPVBXNCDXKORT-UHFFFAOYSA-J
SpectraBase Compound ID 4t7shW0dEkj
InChI InChI=1S/C17H18F4N8O5S.C4H12N.O.Re/c18-12-11(13(19)15(21)16(14(12)20)28-29-22)17(34)24-2-1-23-7(30)3-25-8(31)4-26-9(32)5-27-10(33)6-35;1-5(2,3)4;;/h1-6H2,(H6,23,24,25,26,27,30,31,32,33,34,35);1-4H3;;/q;+1;;+3/p-4
InChIKey DAPVBXNCDXKORT-UHFFFAOYSA-J
Mol Weight 794.76 g/mol
Molecular Formula C21H26F4N9O6ReS
Exact Mass 795.12204 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLgmIlAcYb9
Name DAPVBXNCDXKORT-UHFFFAOYSA-J
Compound Number 8A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26F4N9O6ReS
InChI InChI=1S/C17H18F4N8O5S.C4H12N.O.Re/c18-12-11(13(19)15(21)16(14(12)20)28-29-22)17(34)24-2-1-23-7(30)3-25-8(31)4-26-9(32)5-27-10(33)6-35;1-5(2,3)4;;/h1-6H2,(H6,23,24,25,26,27,30,31,32,33,34,35);1-4H3;;/q;+1;;+3/p-4
InChIKey DAPVBXNCDXKORT-UHFFFAOYSA-J
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
Solvent CDCl3
Source File Reference UWSI22088