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N-[1-(2-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-5-phenyl-3-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-[1-(2-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
SpectraBase Compound ID I061NIEfh1R
InChI InChI=1S/C19H14FN5O2/c20-15-9-5-4-8-14(15)11-25-12-21-19(23-25)22-18(26)16-10-17(27-24-16)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23,26)
InChIKey PPMYAXXAMWIRSO-UHFFFAOYSA-N
Mol Weight 363.35 g/mol
Molecular Formula C19H14FN5O2
Exact Mass 363.113153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlqPZmDkVMA
Name N-[1-(2-Fluorobenzyl)-1H-1,2,4-triazol-3-yl]-5-phenyl-3-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 363.113152872 u
Formula C19H14FN5O2
InChI InChI=1S/C19H14FN5O2/c20-15-9-5-4-8-14(15)11-25-12-21-19(23-25)22-18(26)16-10-17(27-24-16)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23,26)
InChIKey PPMYAXXAMWIRSO-UHFFFAOYSA-N
Molecular Weight 363.352 g/mol
SMILES N(C=1N=CN(CC=2C(F)=CC=CC2)N1)C(C1=NOC(=C1)C=1C=CC=CC1)=O