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5-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID 97UlodXoiuf
InChI InChI=1S/2C16H13FN2O/c2*1-19-14-5-3-2-4-13(14)16(18-10-15(19)20)11-6-8-12(17)9-7-11/h2*2-9H,10H2,1H3
InChIKey RDTXFDVAPMQMRX-UHFFFAOYSA-N
Mol Weight 536.58 g/mol
Molecular Formula C32H26F2N4O2
Exact Mass 536.202382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GweEhW115m5
Name 5-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-METHYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H26F2N4O2
InChI InChI=1S/2C16H13FN2O/c2*1-19-14-5-3-2-4-13(14)16(18-10-15(19)20)11-6-8-12(17)9-7-11/h2*2-9H,10H2,1H3
InChIKey RDTXFDVAPMQMRX-UHFFFAOYSA-N
Literature Reference Author A.NADIN,J.M.S.LOPEZ,A.P.OWENS,D.M.HOWELLS,A.C.TALBOT,T.HARRI SON
Literature Reference Citation J.ORG.CHEM.,68,2844(2003)
Literature Reference DOI 10.1021/jo026860a
Molecular Weight 536.581 g/mol
Solvent CDCl3
Source File Reference UWSI22724