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methyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-(2-chlorophenyl)-3-thiophenecarboxylate
SpectraBase Compound ID 4iqN3ysMDJs
InChI InChI=1S/C21H12Cl2FNO3S2/c1-28-21(27)16-13(11-4-2-3-5-14(11)22)9-29-20(16)25-19(26)18-17(23)12-7-6-10(24)8-15(12)30-18/h2-9H,1H3,(H,25,26)
InChIKey OMSBBKFWMMFFFU-UHFFFAOYSA-N
Mol Weight 480.36 g/mol
Molecular Formula C21H12Cl2FNO3S2
Exact Mass 478.961969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3okByodn1ND
Name methyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-(2-chlorophenyl)-3-thiophenecarboxylate
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/C21H12Cl2FNO3S2/c1-28-21(27)16-13(11-4-2-3-5-14(11)22)9-29-20(16)25-19(26)18-17(23)12-7-6-10(24)8-15(12)30-18/h2-9H,1H3,(H,25,26)
InChIKey OMSBBKFWMMFFFU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11994
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/9099825; UBI_ID: UBI-011997
Temperature 313 °C