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2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID 7XiIlEmMOVP
InChI InChI=1S/C19H16Cl2N2O2S2/c20-9-6-7-11-13(8-9)26-16(15(11)21)18(25)23-19-14(17(22)24)10-4-2-1-3-5-12(10)27-19/h6-8H,1-5H2,(H2,22,24)(H,23,25)
InChIKey KMGBNHXTVWVQCJ-UHFFFAOYSA-N
Mol Weight 439.38 g/mol
Molecular Formula C19H16Cl2N2O2S2
Exact Mass 438.003026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8dipz6DQuS
Name 2-{[(3,6-dichloro-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/C19H16Cl2N2O2S2/c20-9-6-7-11-13(8-9)26-16(15(11)21)18(25)23-19-14(17(22)24)10-4-2-1-3-5-12(10)27-19/h6-8H,1-5H2,(H2,22,24)(H,23,25)
InChIKey KMGBNHXTVWVQCJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18182
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/9120339; UBI_ID: UBI-018185
Temperature 318 °C