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1-furfuryl-4-(p-nitrophenyl)-5-piperidino-1H-1,2,3-triazole
SpectraBase Compound ID 6hXohaiHdaS
InChI InChI=1S/C18H19N5O3/c24-23(25)15-8-6-14(7-9-15)17-18(21-10-2-1-3-11-21)22(20-19-17)13-16-5-4-12-26-16/h4-9,12H,1-3,10-11,13H2
InChIKey RSDAYTOQBGURIL-UHFFFAOYSA-N
Mol Weight 353.38 g/mol
Molecular Formula C18H19N5O3
Exact Mass 353.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0fR2CQMKeq
Name 1-Furfuryl-4-(p-nitrophenyl)-5-piperidino-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
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Exact Mass 353.148789489 u
Formula C18H19N5O3
InChI InChI=1S/C18H19N5O3/c24-23(25)15-8-6-14(7-9-15)17-18(21-10-2-1-3-11-21)22(20-19-17)13-16-5-4-12-26-16/h4-9,12H,1-3,10-11,13H2
InChIKey RSDAYTOQBGURIL-UHFFFAOYSA-N
Molecular Weight 353.382 g/mol
SMILES N(=O)(=O)C=1C=CC(=CC1)C=1N=NN(C1N1CCCCC1)CC=1OC=CC1