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(+/-)-4-FLUOROMETHYL-7-NITRO-3,4-DIHYDRO-ISOQUINOLIN-1-2-H-ONE
SpectraBase Compound ID H8UC8Kyvnf8
InChI InChI=1S/C10H9FN2O3/c11-4-6-5-12-10(14)9-3-7(13(15)16)1-2-8(6)9/h1-3,6H,4-5H2,(H,12,14)
InChIKey LDHWBUYBJPAKPX-UHFFFAOYSA-N
Mol Weight 224.19 g/mol
Molecular Formula C10H9FN2O3
Exact Mass 224.05972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HB5knVlkuE7
Name (+/-)-4-FLUOROMETHYL-7-NITRO-3,4-DIHYDRO-ISOQUINOLIN-1-2-H-ONE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9FN2O3
InChI InChI=1S/C10H9FN2O3/c11-4-6-5-12-10(14)9-3-7(13(15)16)1-2-8(6)9/h1-3,6H,4-5H2,(H,12,14)
InChIKey LDHWBUYBJPAKPX-UHFFFAOYSA-N
Literature Reference Author G.L.GRUNEWALD,T.M.CALDWELL,Q.LI,K.R.CRISCIONE
Literature Reference Citation J.MED.CHEM.,44,2849(2001)
Literature Reference DOI 10.1021/jm010147g
Molecular Weight 224.191 g/mol
Sample ID 45058
Solvent DMSO-D6