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methyl 6-tert-butyl-2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 6-tert-butyl-2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GrK5rc85dwM
InChI InChI=1S/C23H23Cl2NO3S2/c1-23(2,3)11-8-9-12-15(10-11)31-21(16(12)22(28)29-4)26-20(27)19-18(25)17-13(24)6-5-7-14(17)30-19/h5-7,11H,8-10H2,1-4H3,(H,26,27)
InChIKey XGDQPWMHWPSPLK-UHFFFAOYSA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H23Cl2NO3S2
Exact Mass 495.049641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhueQUEjRuw
Name methyl 6-tert-butyl-2-{[(3,4-dichloro-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C23H23Cl2NO3S2/c1-23(2,3)11-8-9-12-15(10-11)31-21(16(12)22(28)29-4)26-20(27)19-18(25)17-13(24)6-5-7-14(17)30-19/h5-7,11H,8-10H2,1-4H3,(H,26,27)
InChIKey XGDQPWMHWPSPLK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15276
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/9314540; Labnumber: NSB-0097292; UZI_ID: UZI-015280
Temperature 308 °C