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benzo[b]thiophene-2-carboxamide, N-(4-bromo-2,6-dimethylphenyl)-3-chloro-

View entire compound with spectra: 2 NMR

benzo[b]thiophene-2-carboxamide, N-(4-bromo-2,6-dimethylphenyl)-3-chloro-
SpectraBase Compound ID KH1klFlsyGf
InChI InChI=1S/C17H13BrClNOS/c1-9-7-11(18)8-10(2)15(9)20-17(21)16-14(19)12-5-3-4-6-13(12)22-16/h3-8H,1-2H3,(H,20,21)
InChIKey KFNWYCDVBGVYBC-UHFFFAOYSA-N
Mol Weight 394.71 g/mol
Molecular Formula C17H13BrClNOS
Exact Mass 392.958976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIsF0HsYuE6
Name Benzo[B]thiophene-2-carboxamide, N-(4-bromo-2,6-dimethylphenyl)-3-chloro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.958975916 u
Formula C17H13BrClNOS
InChI InChI=1S/C17H13BrClNOS/c1-9-7-11(18)8-10(2)15(9)20-17(21)16-14(19)12-5-3-4-6-13(12)22-16/h3-8H,1-2H3,(H,20,21)
InChIKey KFNWYCDVBGVYBC-UHFFFAOYSA-N
Molecular Weight 394.714 g/mol
SMILES N(C(C=1SC=2C=CC=CC2C1Cl)=O)C1=C(C=C(C=C1C)Br)C