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3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-phenyl-2-(1-piperidinylmethyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-phenyl-2-(1-piperidinylmethyl)-
SpectraBase Compound ID LoRLXhXVFqf
InChI InChI=1S/C20H28N4S/c25-20-23(16-22-14-8-3-9-15-22)21-19(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey YLVLLELHEAWEKV-UHFFFAOYSA-N
Mol Weight 356.53 g/mol
Molecular Formula C20H28N4S
Exact Mass 356.203468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qfspS7CXkR
Name 3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-phenyl-2-(1-piperidinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.203468092 u
Formula C20H28N4S
InChI InChI=1S/C20H28N4S/c25-20-23(16-22-14-8-3-9-15-22)21-19(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey YLVLLELHEAWEKV-UHFFFAOYSA-N
Molecular Weight 356.532 g/mol
SMILES C1CN(CCC1)CN1C(N(C(C2=CC=CC=C2)=N1)C1CCCCC1)=S