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3H-1,2,4-triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-
SpectraBase Compound ID CSbjXaEiWBq
InChI InChI=1S/C24H30N4S/c1-24(2,3)20-14-12-19(13-15-20)22-25-27(18-26-16-8-5-9-17-26)23(29)28(22)21-10-6-4-7-11-21/h4,6-7,10-15H,5,8-9,16-18H2,1-3H3
InChIKey XALLZHPWXILXGM-UHFFFAOYSA-N
Mol Weight 406.59 g/mol
Molecular Formula C24H30N4S
Exact Mass 406.219118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VmvXPohsep
Name 3H-1,2,4-Triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.219118156 u
Formula C24H30N4S
InChI InChI=1S/C24H30N4S/c1-24(2,3)20-14-12-19(13-15-20)22-25-27(18-26-16-8-5-9-17-26)23(29)28(22)21-10-6-4-7-11-21/h4,6-7,10-15H,5,8-9,16-18H2,1-3H3
InChIKey XALLZHPWXILXGM-UHFFFAOYSA-N
Molecular Weight 406.592 g/mol
SMILES C1CCN(CN2C(N(C=3C=CC=CC3)C(=N2)C2=CC=C(C(C)(C)C)C=C2)=S)CC1