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1-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

1-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione
SpectraBase Compound ID Go9D107iLkc
InChI InChI=1S/C20H21FN2O2/c21-18-9-7-16(8-10-18)15-22-11-4-12-23(14-13-22)20(25)19(24)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKey SQSZCJVPUZUDTM-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C20H21FN2O2
Exact Mass 340.158706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KlRX8U7Eoq
Name 1-[4-(4-Fluorobenzyl)-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione
Comments Computed using HOSE algorithm
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Exact Mass 340.158706085 u
Formula C20H21FN2O2
InChI InChI=1S/C20H21FN2O2/c21-18-9-7-16(8-10-18)15-22-11-4-12-23(14-13-22)20(25)19(24)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKey SQSZCJVPUZUDTM-UHFFFAOYSA-N
Molecular Weight 340.398 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(=O)N1CCN(CCC1)CC1=CC=C(C=C1)F