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1-(4-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethan-1-one
SpectraBase Compound ID HvgEIM2gSCM
InChI InChI=1S/C18H26N6O/c1-3-4-10-24-18(19-20-21-24)17(16-8-6-5-7-9-16)23-13-11-22(12-14-23)15(2)25/h5-9,17H,3-4,10-14H2,1-2H3
InChIKey CWFULJIGPSGVDA-UHFFFAOYSA-N
Mol Weight 342.45 g/mol
Molecular Formula C18H26N6O
Exact Mass 342.216809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0NHjCOdtDr
Name 1-(4-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethan-1-one
Comments Computed using HOSE algorithm
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Exact Mass 342.216809480 u
Formula C18H26N6O
InChI InChI=1S/C18H26N6O/c1-3-4-10-24-18(19-20-21-24)17(16-8-6-5-7-9-16)23-13-11-22(12-14-23)15(2)25/h5-9,17H,3-4,10-14H2,1-2H3
InChIKey CWFULJIGPSGVDA-UHFFFAOYSA-N
Molecular Weight 342.447 g/mol
SMILES C(C)(=O)N1CCN(CC1)C(C1=CC=CC=C1)C=1N(N=NN1)CCCC