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2-[(anilinocarbothioyl)amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SpectraBase Compound ID 4DfVcXXba0g
InChI InChI=1S/C22H21N3OS2/c1-14-10-12-16(13-11-14)23-20(26)19-17-8-5-9-18(17)28-21(19)25-22(27)24-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H2,24,25,27)
InChIKey VQNPONDXXYGETR-UHFFFAOYSA-N
Mol Weight 407.55 g/mol
Molecular Formula C22H21N3OS2
Exact Mass 407.112605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kb1QXivQQIT
Name 2-[(anilinocarbothioyl)amino]-N-(4-methylphenyl)-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/C22H21N3OS2/c1-14-10-12-16(13-11-14)23-20(26)19-17-8-5-9-18(17)28-21(19)25-22(27)24-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H2,24,25,27)
InChIKey VQNPONDXXYGETR-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_962
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/9233300; Labnumber: DEC-S000003
Temperature 297 °C