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-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID KSCnIQF2cs9
InChI InChI=1S/C23H24FN5O4S2/c1-3-33-22(32)19-14-8-6-10-16(14)35-21(19)26-18(30)12-34-23-28-27-17(29(23)2)11-25-20(31)13-7-4-5-9-15(13)24/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H,25,31)(H,26,30)
InChIKey OJWBBKAZNUOBIH-UHFFFAOYSA-N
Mol Weight 517.59 g/mol
Molecular Formula C23H24FN5O4S2
Exact Mass 517.125375 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 3PN4Ap1zPM0
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-methyl-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/C23H24FN5O4S2/c1-3-33-22(32)19-14-8-6-10-16(14)35-21(19)26-18(30)12-34-23-28-27-17(29(23)2)11-25-20(31)13-7-4-5-9-15(13)24/h4-5,7,9H,3,6,8,10-12H2,1-2H3,(H,25,31)(H,26,30)
InChIKey OJWBBKAZNUOBIH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6681
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/10278692