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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID KvXrqiYTfCs
InChI InChI=1S/C25H28FN5O4S2/c1-4-35-24(34)20-16-10-6-8-12-18(16)37-23(20)28-21(32)14(2)36-25-30-29-19(31(25)3)13-27-22(33)15-9-5-7-11-17(15)26/h5,7,9,11,14H,4,6,8,10,12-13H2,1-3H3,(H,27,33)(H,28,32)
InChIKey LKTHZAQTGRUDLT-UHFFFAOYSA-N
Mol Weight 545.65 g/mol
Molecular Formula C25H28FN5O4S2
Exact Mass 545.156675 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 8VPv3IbgnAD
Name benzo[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]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/C25H28FN5O4S2/c1-4-35-24(34)20-16-10-6-8-12-18(16)37-23(20)28-21(32)14(2)36-25-30-29-19(31(25)3)13-27-22(33)15-9-5-7-11-17(15)26/h5,7,9,11,14H,4,6,8,10,12-13H2,1-3H3,(H,27,33)(H,28,32)
InChIKey LKTHZAQTGRUDLT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6697
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/10278709