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1-[1-(1-Benzyl-1H-tetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine

View entire compound with spectra: 1 NMR

1-[1-(1-Benzyl-1H-tetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine
SpectraBase Compound ID LyPagfKjS6M
InChI InChI=1S/C22H27FN6/c1-2-8-21(22-24-25-26-29(22)17-18-9-4-3-5-10-18)28-15-13-27(14-16-28)20-12-7-6-11-19(20)23/h3-7,9-12,21H,2,8,13-17H2,1H3
InChIKey PMXKATAHXCDNCS-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C22H27FN6
Exact Mass 394.228123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZFA8r5M9Yx
Name 1-[1-(1-Benzyl-1H-tetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.228123056 u
Formula C22H27FN6
InChI InChI=1S/C22H27FN6/c1-2-8-21(22-24-25-26-29(22)17-18-9-4-3-5-10-18)28-15-13-27(14-16-28)20-12-7-6-11-19(20)23/h3-7,9-12,21H,2,8,13-17H2,1H3
InChIKey PMXKATAHXCDNCS-UHFFFAOYSA-N
Molecular Weight 394.498 g/mol
SMILES C=1(C(N2CCN(CC2)C2=C(C=CC=C2)F)CCC)N(CC2=CC=CC=C2)N=NN1