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6-Bromo-3-oxo-N-phenylchromeno[2,3-c]pyrazole-2(3H)-carbothioamide
SpectraBase Compound ID EubJmjIljkg
InChI InChI=1S/C17H10BrN3O2S/c18-11-6-7-14-10(8-11)9-13-15(23-14)20-21(16(13)22)17(24)19-12-4-2-1-3-5-12/h1-9H,(H,19,24)
InChIKey XKRNDJLRLHAEMP-UHFFFAOYSA-N
Mol Weight 400.25 g/mol
Molecular Formula C17H10BrN3O2S
Exact Mass 398.967711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FE4ozISzIbx
Name 6-Bromo-3-oxo-N-phenylchromeno[2,3-c]pyrazole-2(3H)-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10BrN3O2S
InChI InChI=1S/C17H10BrN3O2S/c18-11-6-7-14-10(8-11)9-13-15(23-14)20-21(16(13)22)17(24)19-12-4-2-1-3-5-12/h1-9H,(H,19,24)
InChIKey XKRNDJLRLHAEMP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201300388
Molecular Weight 400.250 g/mol
SMILES N(C(=S)N1N=C2C(C1=O)=Cc1cc(ccc1O2)Br)c1ccccc1
SPLASH splash10-0gb9-2497000000-cd7d8749bd6ea40f5362
Source of Spectrum H-97-898-3b
Wiley ID 1784989