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methyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3GQdLnbSNQd
InChI InChI=1S/C20H17Cl2NO3S2/c1-9-3-5-11-13(7-9)28-19(15(11)20(25)26-2)23-18(24)17-16(22)12-6-4-10(21)8-14(12)27-17/h4,6,8-9H,3,5,7H2,1-2H3,(H,23,24)
InChIKey HKWLDOXKTVTXIZ-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C20H17Cl2NO3S2
Exact Mass 453.002691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCB5m7W7xvx
Name methyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-6-methyl-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/C20H17Cl2NO3S2/c1-9-3-5-11-13(7-9)28-19(15(11)20(25)26-2)23-18(24)17-16(22)12-6-4-10(21)8-14(12)27-17/h4,6,8-9H,3,5,7H2,1-2H3,(H,23,24)
InChIKey HKWLDOXKTVTXIZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18167
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/9120230; UBI_ID: UBI-018170
Temperature 318 °C