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2-({3-[(2-bromophenoxy)methyl]-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID 9d4UmmkCfda
InChI InChI=1S/C23H21BrN2O4S/c1-29-17-10-9-13(11-14(17)12-30-18-7-3-2-6-16(18)24)22(28)26-23-20(21(25)27)15-5-4-8-19(15)31-23/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H2,25,27)(H,26,28)
InChIKey CYNKWKQVFXAHFL-UHFFFAOYSA-N
Mol Weight 501.4 g/mol
Molecular Formula C23H21BrN2O4S
Exact Mass 500.040541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2moFfzIZ9N2
Name 2-({3-[(2-bromophenoxy)methyl]-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
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/C23H21BrN2O4S/c1-29-17-10-9-13(11-14(17)12-30-18-7-3-2-6-16(18)24)22(28)26-23-20(21(25)27)15-5-4-8-19(15)31-23/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H2,25,27)(H,26,28)
InChIKey CYNKWKQVFXAHFL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10138
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: UZI/1022652; Labnumber: JVT2708; UZI_ID: UZI-010140
Temperature 308 °C