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[1-(3-Chlorobenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate
SpectraBase Compound ID FCUn34De48k
InChI InChI=1S/C15H17ClN4O2/c16-13-5-3-4-12(8-13)9-20-10-14(17-18-20)11-22-15(21)19-6-1-2-7-19/h3-5,8,10H,1-2,6-7,9,11H2
InChIKey BBFAVCGPDDLLCH-UHFFFAOYSA-N
Mol Weight 320.78 g/mol
Molecular Formula C15H17ClN4O2
Exact Mass 320.104004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnIwPmuSKBA
Name [1-(3-Chlorobenzyl)-1,2,3-triazol-4-yl]methyl pyrrolidine-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 320.104003501 u
Formula C15H17ClN4O2
InChI InChI=1S/C15H17ClN4O2/c16-13-5-3-4-12(8-13)9-20-10-14(17-18-20)11-22-15(21)19-6-1-2-7-19/h3-5,8,10H,1-2,6-7,9,11H2
InChIKey BBFAVCGPDDLLCH-UHFFFAOYSA-N
Molecular Weight 320.780 g/mol
SMILES C1N(CCC1)C(=O)OCC=1N=NN(C1)CC1=CC(=CC=C1)Cl