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1-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]cyclohexan-1-amine
SpectraBase Compound ID FJSbrUe9cJB
InChI InChI=1S/C25H30N6O/c1-18-21(22-8-4-5-9-23(22)27-18)14-17-26-25(15-6-3-7-16-25)24-28-29-30-31(24)19-10-12-20(32-2)13-11-19/h4-5,8-13,26-27H,3,6-7,14-17H2,1-2H3
InChIKey NTEBSTTVOUOJDR-UHFFFAOYSA-N
Mol Weight 430.56 g/mol
Molecular Formula C25H30N6O
Exact Mass 430.24811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DamtKJQ4fyP
Name 1-[1-(4-Methoxyphenyl)-1,2,3,4-tetrazol-5-yl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]cyclohexan-1-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.248109609 u
Formula C25H30N6O
InChI InChI=1S/C25H30N6O/c1-18-21(22-8-4-5-9-23(22)27-18)14-17-26-25(15-6-3-7-16-25)24-28-29-30-31(24)19-10-12-20(32-2)13-11-19/h4-5,8-13,26-27H,3,6-7,14-17H2,1-2H3
InChIKey NTEBSTTVOUOJDR-UHFFFAOYSA-N
Molecular Weight 430.556 g/mol
SMILES C=1(N(N=NN1)C1=CC=C(C=C1)OC)C1(NCCC2=C(NC=3C2=CC=CC3)C)CCCCC1