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

*Links on SpectraBase are not permalinks.

1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-fluorobenzyl)-1,4-diazepane

View entire compound with spectra: 1 NMR

1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-fluorobenzyl)-1,4-diazepane
SpectraBase Compound ID 3IzKD4QZXMZ
InChI InChI=1S/C24H31FN6/c1-24(2,3)31-23(26-27-28-31)22(20-8-5-4-6-9-20)30-15-7-14-29(16-17-30)18-19-10-12-21(25)13-11-19/h4-6,8-13,22H,7,14-18H2,1-3H3
InChIKey MDWNKCZQBFHGRQ-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C24H31FN6
Exact Mass 422.259423 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 BBLgWiI3IW4
Name 1-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)-4-(4-fluorobenzyl)-1,4-diazepane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.259423185 u
Formula C24H31FN6
InChI InChI=1S/C24H31FN6/c1-24(2,3)31-23(26-27-28-31)22(20-8-5-4-6-9-20)30-15-7-14-29(16-17-30)18-19-10-12-21(25)13-11-19/h4-6,8-13,22H,7,14-18H2,1-3H3
InChIKey MDWNKCZQBFHGRQ-UHFFFAOYSA-N
Molecular Weight 422.552 g/mol
SMILES C1N(CCCN(C1)CC1=CC=C(C=C1)F)C(C1=CC=CC=C1)C=1N(N=NN1)C(C)(C)C