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4-Amino-2-(m-anisidino)-5-(p-bromobenzoyl)-3-thiophenecarbonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Amino-2-(m-anisidino)-5-(p-bromobenzoyl)-3-thiophenecarbonitrile
SpectraBase Compound ID A6dj2O69QO2
InChI InChI=1S/C19H14BrN3O2S/c1-25-14-4-2-3-13(9-14)23-19-15(10-21)16(22)18(26-19)17(24)11-5-7-12(20)8-6-11/h2-9,23H,22H2,1H3
InChIKey APAOLXZQXGPAIT-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C19H14BrN3O2S
Exact Mass 426.999011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYaTSFcbhv2
Name 4-Amino-2-(m-anisidino)-5-(p-bromobenzoyl)-3-thiophenecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.999010875 u
Formula C19H14BrN3O2S
InChI InChI=1S/C19H14BrN3O2S/c1-25-14-4-2-3-13(9-14)23-19-15(10-21)16(22)18(26-19)17(24)11-5-7-12(20)8-6-11/h2-9,23H,22H2,1H3
InChIKey APAOLXZQXGPAIT-UHFFFAOYSA-N
Molecular Weight 428.304 g/mol
SMILES N(C1=C(C(=C(S1)C(C1=CC=C(C=C1)Br)=O)N)C#N)C=1C=C(C=CC1)OC