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

*Links on SpectraBase are not permalinks.

benzo[b]thiophene-3-carboxylic acid, 2-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID hFfyn6PtKz
InChI InChI=1S/C31H32FN5O5S2/c1-3-41-20-15-13-19(14-16-20)37-25(17-33-28(39)21-9-5-7-11-23(21)32)35-36-31(37)43-18-26(38)34-29-27(30(40)42-4-2)22-10-6-8-12-24(22)44-29/h5,7,9,11,13-16H,3-4,6,8,10,12,17-18H2,1-2H3,(H,33,39)(H,34,38)
InChIKey LTSZULJHIBDROY-UHFFFAOYSA-N
Mol Weight 637.7 g/mol
Molecular Formula C31H32FN5O5S2
Exact Mass 637.18289 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 B8b9zFoEMmg
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
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/C31H32FN5O5S2/c1-3-41-20-15-13-19(14-16-20)37-25(17-33-28(39)21-9-5-7-11-23(21)32)35-36-31(37)43-18-26(38)34-29-27(30(40)42-4-2)22-10-6-8-12-24(22)44-29/h5,7,9,11,13-16H,3-4,6,8,10,12,17-18H2,1-2H3,(H,33,39)(H,34,38)
InChIKey LTSZULJHIBDROY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6688
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/10278699