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

*Links on SpectraBase are not permalinks.
2-[(4-benzhydryl-1-piperazinyl)methyl]-5-(4-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 8cgzxWNiT4U
InChI InChI=1S/C28H31N5OS/c1-30-27(24-13-15-25(34-2)16-14-24)29-33(28(30)35)21-31-17-19-32(20-18-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,17-21H2,1-2H3
InChIKey ADNLEOSIQSMVKA-UHFFFAOYSA-N
Mol Weight 485.65 g/mol
Molecular Formula C28H31N5OS
Exact Mass 485.224932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9aSDIoKAU6L
Name 3H-1,2,4-triazole-3-thione, 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.224931811 u
Formula C28H31N5OS
InChI InChI=1S/C28H31N5OS/c1-30-27(24-13-15-25(34-2)16-14-24)29-33(28(30)35)21-31-17-19-32(20-18-31)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,17-21H2,1-2H3
InChIKey ADNLEOSIQSMVKA-UHFFFAOYSA-N
Molecular Weight 485.650 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6825
Solvent DMSO-d6
Source Vendor ID: NMR/9313718; Lab Info: LP; Lab Number: LP-2191568