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JDGMTRUOBBRKNW-UHFFFAOYSA-N
SpectraBase Compound ID ESr5mh6OGP1
InChI InChI=1S/C9H7F4N5O/c10-4-3(9(19)16-2-1-14)5(11)7(13)8(6(4)12)17-18-15/h1-2,14H2,(H,16,19)
InChIKey JDGMTRUOBBRKNW-UHFFFAOYSA-N
Mol Weight 277.18 g/mol
Molecular Formula C9H7F4N5O
Exact Mass 277.058673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEcZRwyDRG4
Name JDGMTRUOBBRKNW-UHFFFAOYSA-N
Compound Number 18C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7F4N5O
InChI InChI=1S/C9H7F4N5O/c10-4-3(9(19)16-2-1-14)5(11)7(13)8(6(4)12)17-18-15/h1-2,14H2,(H,16,19)
InChIKey JDGMTRUOBBRKNW-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 277.181 g/mol
Solvent DMSO
Source File Reference UWSI22078