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

*Links on SpectraBase are not permalinks.
4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID RPPuaCixrW
InChI InChI=1S/C28H25F2N5O4S2/c1-2-39-27(38)24-19-7-5-9-21(19)41-26(24)32-23(36)15-40-28-34-33-22(35(28)17-12-10-16(29)11-13-17)14-31-25(37)18-6-3-4-8-20(18)30/h3-4,6,8,10-13H,2,5,7,9,14-15H2,1H3,(H,31,37)(H,32,36)
InChIKey YEIJUXNJGCSQBU-UHFFFAOYSA-N
Mol Weight 597.66 g/mol
Molecular Formula C28H25F2N5O4S2
Exact Mass 597.131603 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 AjPxvKTAnyf
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, 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/C28H25F2N5O4S2/c1-2-39-27(38)24-19-7-5-9-21(19)41-26(24)32-23(36)15-40-28-34-33-22(35(28)17-12-10-16(29)11-13-17)14-31-25(37)18-6-3-4-8-20(18)30/h3-4,6,8,10-13H,2,5,7,9,14-15H2,1H3,(H,31,37)(H,32,36)
InChIKey YEIJUXNJGCSQBU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6686
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/10278697