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3,6-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-1-benzothiophene-2-carboxamide
SpectraBase Compound ID JmTqQgEA1hB
InChI InChI=1S/C19H14Cl2N2OS2/c20-10-6-7-12-15(8-10)25-17(16(12)21)18(24)23-19-13(9-22)11-4-2-1-3-5-14(11)26-19/h6-8H,1-5H2,(H,23,24)
InChIKey KHVVDIZKLDLVKQ-UHFFFAOYSA-N
Mol Weight 421.36 g/mol
Molecular Formula C19H14Cl2N2OS2
Exact Mass 419.992461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 553RfMIMJRm
Name 3,6-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-1-benzothiophene-2-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/C19H14Cl2N2OS2/c20-10-6-7-12-15(8-10)25-17(16(12)21)18(24)23-19-13(9-22)11-4-2-1-3-5-14(11)26-19/h6-8H,1-5H2,(H,23,24)
InChIKey KHVVDIZKLDLVKQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18216
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/9120783; UBI_ID: UBI-018219
Temperature 308 °C