For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(4-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)pyrimidine

View entire compound with spectra: 1 NMR

2-(4-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)pyrimidine
SpectraBase Compound ID 5I7QLKa2uKf
InChI InChI=1S/C20H26N8/c1-20(2,3)28-18(23-24-25-28)17(16-8-5-4-6-9-16)26-12-14-27(15-13-26)19-21-10-7-11-22-19/h4-11,17H,12-15H2,1-3H3
InChIKey NMKQCHQBNPOPTA-UHFFFAOYSA-N
Mol Weight 378.48 g/mol
Molecular Formula C20H26N8
Exact Mass 378.228043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JL3Dtpe8HGm
Name 2-(4-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)pyrimidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.228042869 u
Formula C20H26N8
InChI InChI=1S/C20H26N8/c1-20(2,3)28-18(23-24-25-28)17(16-8-5-4-6-9-16)26-12-14-27(15-13-26)19-21-10-7-11-22-19/h4-11,17H,12-15H2,1-3H3
InChIKey NMKQCHQBNPOPTA-UHFFFAOYSA-N
Molecular Weight 378.484 g/mol
SMILES C1(=NC=CC=N1)N1CCN(CC1)C(C1=CC=CC=C1)C=1N(N=NN1)C(C)(C)C