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N-[3-benzyl-5-(4-fluorophenyl)pyrazin-2-yl]acetamide

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

N-[3-benzyl-5-(4-fluorophenyl)pyrazin-2-yl]acetamide
SpectraBase Compound ID ImJDikRlrRP
InChI InChI=1S/C19H16FN3O/c1-13(24)22-19-17(11-14-5-3-2-4-6-14)23-18(12-21-19)15-7-9-16(20)10-8-15/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKey LEVXMENWLMDPIY-UHFFFAOYSA-N
Mol Weight 321.36 g/mol
Molecular Formula C19H16FN3O
Exact Mass 321.12774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9bqBBks33w
Name N-[3-Benzyl-5-(4-fluorophenyl)pyrazin-2-yl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 321.127740309 u
Formula C19H16FN3O
InChI InChI=1S/C19H16FN3O/c1-13(24)22-19-17(11-14-5-3-2-4-6-14)23-18(12-21-19)15-7-9-16(20)10-8-15/h2-10,12H,11H2,1H3,(H,21,22,24)
InChIKey LEVXMENWLMDPIY-UHFFFAOYSA-N
Molecular Weight 321.355 g/mol
SMILES C1(=NC(=CN=C1NC(=O)C)C=1C=CC(=CC1)F)CC=1C=CC=CC1