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

*Links on SpectraBase are not permalinks.
benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 7OJ8PXoJnZW
InChI InChI=1S/C36H36N6O4S2/c1-45-30-16-9-15-27(35(30)46-2)29-22-28(31-17-10-20-47-31)40-42(29)34(44)24-48-36-39-38-32(41(36)19-18-25-11-5-3-6-12-25)23-37-33(43)21-26-13-7-4-8-14-26/h3-17,20,29H,18-19,21-24H2,1-2H3,(H,37,43)
InChIKey HESGBYGGROWZGU-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C36H36N6O4S2
Exact Mass 680.223946 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 FjCfIXDa2Dv
Name benzeneacetamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-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/C36H36N6O4S2/c1-45-30-16-9-15-27(35(30)46-2)29-22-28(31-17-10-20-47-31)40-42(29)34(44)24-48-36-39-38-32(41(36)19-18-25-11-5-3-6-12-25)23-37-33(43)21-26-13-7-4-8-14-26/h3-17,20,29H,18-19,21-24H2,1-2H3,(H,37,43)
InChIKey HESGBYGGROWZGU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5472
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/10257128; Labnumber: F0514-5539