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2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID Ln3wzeYghTD
InChI InChI=1S/C19H17ClN2O2S2/c20-15-11-7-4-5-9-13(11)25-16(15)18(24)22-19-14(17(21)23)10-6-2-1-3-8-12(10)26-19/h4-5,7,9H,1-3,6,8H2,(H2,21,23)(H,22,24)
InChIKey WIFXFTPYAWAYGJ-UHFFFAOYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C19H17ClN2O2S2
Exact Mass 404.041998 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bzjpW5ICLK
Name 2-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[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/C19H17ClN2O2S2/c20-15-11-7-4-5-9-13(11)25-16(15)18(24)22-19-14(17(21)23)10-6-2-1-3-8-12(10)26-19/h4-5,7,9H,1-3,6,8H2,(H2,21,23)(H,22,24)
InChIKey WIFXFTPYAWAYGJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12769
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/8032209; Labnumber: NSB0013502; UZI_ID: UZI-012773
Temperature 318 °C