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isopropyl 4-(4-bromophenyl)-2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID 2VENXBeErzD
InChI InChI=1S/C23H16BrClFNO3S2/c1-11(2)30-23(29)18-16(12-3-5-13(24)6-4-12)10-31-22(18)27-21(28)20-19(25)15-8-7-14(26)9-17(15)32-20/h3-11H,1-2H3,(H,27,28)
InChIKey VSDVDXHOUGOLIK-UHFFFAOYSA-N
Mol Weight 552.86 g/mol
Molecular Formula C23H16BrClFNO3S2
Exact Mass 550.942755 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQomtR3O2px
Name isopropyl 4-(4-bromophenyl)-2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-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/C23H16BrClFNO3S2/c1-11(2)30-23(29)18-16(12-3-5-13(24)6-4-12)10-31-22(18)27-21(28)20-19(25)15-8-7-14(26)9-17(15)32-20/h3-11H,1-2H3,(H,27,28)
InChIKey VSDVDXHOUGOLIK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11778
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/9099771; UBI_ID: UBI-011781
Temperature 313 °C