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2-[4-(4-Bromobenzamido)phenyl]-6-methylbenzothiazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-[4-(4-Bromobenzamido)phenyl]-6-methylbenzothiazole
SpectraBase Compound ID Be6mXTnjEB6
InChI InChI=1S/C21H15BrN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25)
InChIKey NVKWTYYGOOPYJI-UHFFFAOYSA-N
Mol Weight 423.33 g/mol
Molecular Formula C21H15BrN2OS
Exact Mass 422.008847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FidkzI0SOWH
Name 2-[4-(4-Bromobenzamido)phenyl]-6-methylbenzothiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.008847284 u
Formula C21H15BrN2OS
InChI InChI=1S/C21H15BrN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25)
InChIKey NVKWTYYGOOPYJI-UHFFFAOYSA-N
Molecular Weight 423.328 g/mol
SMILES CC1=CC=2SC(C=3C=CC(=CC3)NC(=O)C3=CC=C(C=C3)Br)=NC2C=C1