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4H-cyclopenta[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]-5,6-dihydro-, ethyl ester

View entire compound with spectra: 1 NMR

4H-cyclopenta[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]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID AIrfdwQMPT2
InChI InChI=1S/C24H26FN5O4S2/c1-4-34-23(33)19-15-9-7-11-17(15)36-22(19)27-20(31)13(2)35-24-29-28-18(30(24)3)12-26-21(32)14-8-5-6-10-16(14)25/h5-6,8,10,13H,4,7,9,11-12H2,1-3H3,(H,26,32)(H,27,31)
InChIKey BFQCTULMLNTWKI-UHFFFAOYSA-N
Mol Weight 531.62 g/mol
Molecular Formula C24H26FN5O4S2
Exact Mass 531.141025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EeGQxrhTf1R
Name 4H-cyclopenta[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]-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/C24H26FN5O4S2/c1-4-34-23(33)19-15-9-7-11-17(15)36-22(19)27-20(31)13(2)35-24-29-28-18(30(24)3)12-26-21(32)14-8-5-6-10-16(14)25/h5-6,8,10,13H,4,7,9,11-12H2,1-3H3,(H,26,32)(H,27,31)
InChIKey BFQCTULMLNTWKI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6698
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/10278710