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

*Links on SpectraBase are not permalinks.

benzamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-

View entire compound with spectra: 1 NMR

benzamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID GcPCxT8dk4t
InChI InChI=1S/C29H27BrN6O3S/c1-35-26(17-31-28(38)21-6-4-3-5-7-21)32-33-29(35)40-18-27(37)36-25(20-10-14-23(39-2)15-11-20)16-24(34-36)19-8-12-22(30)13-9-19/h3-15,25H,16-18H2,1-2H3,(H,31,38)
InChIKey SXPJPKHEHYSRLC-UHFFFAOYSA-N
Mol Weight 619.54 g/mol
Molecular Formula C29H27BrN6O3S
Exact Mass 618.104873 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 EWsEwQWrdtn
Name benzamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H27BrN6O3S/c1-35-26(17-31-28(38)21-6-4-3-5-7-21)32-33-29(35)40-18-27(37)36-25(20-10-14-23(39-2)15-11-20)16-24(34-36)19-8-12-22(30)13-9-19/h3-15,25H,16-18H2,1-2H3,(H,31,38)
InChIKey SXPJPKHEHYSRLC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6108
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10266705