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[1-(2,6-Difluorobenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate
SpectraBase Compound ID IeHCOfeeSYo
InChI InChI=1S/C15H16F2N4O2/c16-13-4-3-5-14(17)12(13)9-21-8-11(18-19-21)10-23-15(22)20-6-1-2-7-20/h3-5,8H,1-2,6-7,9-10H2
InChIKey XMOLBBBKBILIAT-UHFFFAOYSA-N
Mol Weight 322.32 g/mol
Molecular Formula C15H16F2N4O2
Exact Mass 322.124132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8s6ISkRH7t
Name [1-(2,6-Difluorobenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 322.124132095 u
Formula C15H16F2N4O2
InChI InChI=1S/C15H16F2N4O2/c16-13-4-3-5-14(17)12(13)9-21-8-11(18-19-21)10-23-15(22)20-6-1-2-7-20/h3-5,8H,1-2,6-7,9-10H2
InChIKey XMOLBBBKBILIAT-UHFFFAOYSA-N
Molecular Weight 322.316 g/mol
SMILES C1N(CCC1)C(=O)OCC=1N=NN(C1)CC1=C(C=CC=C1F)F