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N-[2-(Azepane-1-carbonyl)-phenyl]-4-fluoro-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-[2-(Azepane-1-carbonyl)-phenyl]-4-fluoro-benzamide
SpectraBase Compound ID 6TkWObcfT1s
InChI InChI=1S/C20H21FN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)
InChIKey PHZPENDOJDYGKP-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 2HEqgdMsFfg
Name N-[2-(Azepane-1-carbonyl)-phenyl]-4-fluoro-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 340.158706085 u
Formula C20H21FN2O2
InChI InChI=1S/C20H21FN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)
InChIKey PHZPENDOJDYGKP-UHFFFAOYSA-N
Molecular Weight 340.398 g/mol
SMILES C(C1=C(NC(C2=CC=C(C=C2)F)=O)C=CC=C1)(N1CCCCCC1)=O