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6-Chloro-2-(3,5-diphenyl-pyrazol-2-yl)-benzothiazole

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

6-Chloro-2-(3,5-diphenyl-pyrazol-2-yl)-benzothiazole
SpectraBase Compound ID 2WcxOLjnZSy
InChI InChI=1S/C22H14ClN3S/c23-17-11-12-18-21(13-17)27-22(24-18)26-20(16-9-5-2-6-10-16)14-19(25-26)15-7-3-1-4-8-15/h1-14H
InChIKey PAVTZPFEFFYCHG-UHFFFAOYSA-N
Mol Weight 387.89 g/mol
Molecular Formula C22H14ClN3S
Exact Mass 387.059696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BiDhG2gkPe
Name 6-Chloro-2-(3,5-diphenyl-pyrazol-2-yl)-benzothiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.059696337 u
Formula C22H14ClN3S
InChI InChI=1S/C22H14ClN3S/c23-17-11-12-18-21(13-17)27-22(24-18)26-20(16-9-5-2-6-10-16)14-19(25-26)15-7-3-1-4-8-15/h1-14H
InChIKey PAVTZPFEFFYCHG-UHFFFAOYSA-N
Molecular Weight 387.888 g/mol
SMILES C12=C(C=C(C=C2)Cl)SC(=N1)N1C(=CC(C2=CC=CC=C2)=N1)C1=CC=CC=C1