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6-Bromo-N-(4-chlorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide
SpectraBase Compound ID LAYlZ0mm9y7
InChI InChI=1S/C17H9BrClN3O2S/c18-10-1-6-14-9(7-10)8-13-15(24-14)21-22(16(13)23)17(25)20-12-4-2-11(19)3-5-12/h1-8H,(H,20,25)
InChIKey PRBQDTDVSARZNS-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C17H9BrClN3O2S
Exact Mass 432.928738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa63WFCLjYt
Name 6-Bromo-N-(4-chlorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9BrClN3O2S
InChI InChI=1S/C17H9BrClN3O2S/c18-10-1-6-14-9(7-10)8-13-15(24-14)21-22(16(13)23)17(25)20-12-4-2-11(19)3-5-12/h1-8H,(H,20,25)
InChIKey PRBQDTDVSARZNS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201300388
Molecular Weight 434.695 g/mol
SMILES N(C(=S)N1C(C=2C(=N1)Oc1ccc(cc1C2)Br)=O)c1ccc(cc1)Cl
SPLASH splash10-014i-0921100000-e9dfd6bc3567442318e3
Source of Spectrum H-97-898-3f
Wiley ID 1784993