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6-Bromo-N-(4-fluorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide
SpectraBase Compound ID BtrAkDh6oVa
InChI InChI=1S/C17H9BrFN3O2S/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 IPTQSQGPPLEZJL-UHFFFAOYSA-N
Mol Weight 418.24 g/mol
Molecular Formula C17H9BrFN3O2S
Exact Mass 416.958289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzU4b6DR0aC
Name 6-Bromo-N-(4-fluorophenyl)-3-oxochromeno[2,3-c]pyrazole-2(3H)-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H9BrFN3O2S
InChI InChI=1S/C17H9BrFN3O2S/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 IPTQSQGPPLEZJL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201300388
Molecular Weight 418.240 g/mol
SMILES N(C(=S)N1N=C2C(C1=O)=Cc1cc(ccc1O2)Br)c1ccc(cc1)F
SPLASH splash10-0udi-5956000000-c06e3e33a652346ece68
Source of Spectrum H-97-898-3c
Wiley ID 1784990