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isopropyl 2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IA8tIImt4EC
InChI InChI=1S/C22H21Cl2NO3S2/c1-11(2)28-22(27)16-12-7-4-3-5-9-14(12)30-21(16)25-20(26)19-18(24)17-13(23)8-6-10-15(17)29-19/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,25,26)
InChIKey JZFAEMDTPOKIOK-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C22H21Cl2NO3S2
Exact Mass 481.033991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7pSERTRo1ES
Name isopropyl 2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C22H21Cl2NO3S2/c1-11(2)28-22(27)16-12-7-4-3-5-9-14(12)30-21(16)25-20(26)19-18(24)17-13(23)8-6-10-15(17)29-19/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,25,26)
InChIKey JZFAEMDTPOKIOK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15253
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/9312450; Labnumber: NSB-0097218; UZI_ID: UZI-015257
Temperature 308 °C