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2-({3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID GDrTy6UxiC5
InChI InChI=1S/C23H21BrN2O4S/c1-29-18-10-5-13(11-14(18)12-30-16-8-6-15(24)7-9-16)22(28)26-23-20(21(25)27)17-3-2-4-19(17)31-23/h5-11H,2-4,12H2,1H3,(H2,25,27)(H,26,28)
InChIKey AFWFHUKWEKDJRV-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 ISje2r6yyCU
Name 2-({3-[(4-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/c1-29-18-10-5-13(11-14(18)12-30-16-8-6-15(24)7-9-16)22(28)26-23-20(21(25)27)17-3-2-4-19(17)31-23/h5-11H,2-4,12H2,1H3,(H2,25,27)(H,26,28)
InChIKey AFWFHUKWEKDJRV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10113
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/1023226; Labnumber: JVT2608; UZI_ID: UZI-010115
Temperature 308 °C