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1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-fluorophenyl)piperazine

View entire compound with spectra: 1 NMR

1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID 2JpVEGQTyX2
InChI InChI=1S/C22H27FN6/c1-22(2,3)29-21(24-25-26-29)20(17-7-5-4-6-8-17)28-15-13-27(14-16-28)19-11-9-18(23)10-12-19/h4-12,20H,13-16H2,1-3H3
InChIKey BJFPFKVWGNGHCY-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 9l5V2evRkHV
Name 1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-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/c1-22(2,3)29-21(24-25-26-29)20(17-7-5-4-6-8-17)28-15-13-27(14-16-28)19-11-9-18(23)10-12-19/h4-12,20H,13-16H2,1-3H3
InChIKey BJFPFKVWGNGHCY-UHFFFAOYSA-N
Molecular Weight 394.498 g/mol
SMILES C1N(CCN(C1)C1=CC=C(C=C1)F)C(C1=CC=CC=C1)C=1N(N=NN1)C(C)(C)C