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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]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-[[[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID 8OBmCj6et6L
InChI InChI=1S/C29H35N5O4S2/c1-3-38-28(37)25-21-13-8-14-22(21)40-27(25)31-24(35)17-39-29-33-32-23(34(29)20-11-5-4-6-12-20)16-30-26(36)19-10-7-9-18(2)15-19/h7,9-10,15,20H,3-6,8,11-14,16-17H2,1-2H3,(H,30,36)(H,31,35)
InChIKey DUXHMIMIZFWWGT-UHFFFAOYSA-N
Mol Weight 581.8 g/mol
Molecular Formula C29H35N5O4S2
Exact Mass 581.213047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhaldyySRn7
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[4-cyclohexyl-5-[[(3-methylbenzoyl)amino]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/C29H35N5O4S2/c1-3-38-28(37)25-21-13-8-14-22(21)40-27(25)31-24(35)17-39-29-33-32-23(34(29)20-11-5-4-6-12-20)16-30-26(36)19-10-7-9-18(2)15-19/h7,9-10,15,20H,3-6,8,11-14,16-17H2,1-2H3,(H,30,36)(H,31,35)
InChIKey DUXHMIMIZFWWGT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6669
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/10278679