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1-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-(pyridin-2-yl)piperazine

View entire compound with spectra: 1 NMR

1-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-(pyridin-2-yl)piperazine
SpectraBase Compound ID B7taA4UAR9D
InChI InChI=1S/C21H27N7/c1-2-3-13-28-21(23-24-25-28)20(18-9-5-4-6-10-18)27-16-14-26(15-17-27)19-11-7-8-12-22-19/h4-12,20H,2-3,13-17H2,1H3
InChIKey FWUJYPZOTOTZIM-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C21H27N7
Exact Mass 377.232794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BG7anc0Caz
Name 1-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-(pyridin-2-yl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 377.232793897 u
Formula C21H27N7
InChI InChI=1S/C21H27N7/c1-2-3-13-28-21(23-24-25-28)20(18-9-5-4-6-10-18)27-16-14-26(15-17-27)19-11-7-8-12-22-19/h4-12,20H,2-3,13-17H2,1H3
InChIKey FWUJYPZOTOTZIM-UHFFFAOYSA-N
Molecular Weight 377.496 g/mol
SMILES C1N(CCN(C1)C1=CC=CC=N1)C(C1=CC=CC=C1)C=1N(N=NN1)CCCC