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7-bromo[1,2,5]thiadiazolo[3,4-d]pyridazin-4(5H)-one
SpectraBase Compound ID 7obXULhlgmA
InChI InChI=1S/C4HBrN4OS/c5-3-1-2(9-11-8-1)4(10)7-6-3/h(H,7,10)
InChIKey ZKOKZFKPQXWUTQ-UHFFFAOYSA-N
Mol Weight 233.04 g/mol
Molecular Formula C4HBrN4OS
Exact Mass 231.905445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsVo153uF5s
Name 7-bromo[1,2,5]thiadiazolo[3,4-d]pyridazin-4(5H)-one
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.905444841 u
Formula C4HBrN4OS
InChI InChI=1S/C4HBrN4OS/c5-3-1-2(9-11-8-1)4(10)7-6-3/h(H,7,10)
InChIKey ZKOKZFKPQXWUTQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800961
Quality 352
Reported Formula C4H(79)BrN4OS
SMILES N1N=C(C=2C(C1=O)=NSN2)Br
SPLASH splash10-001i-1090000000-0fd8e76c0115f5ff0858
Source of Spectrum K1-2018-5674-4 (DOI: 10.1002/ejoc.201800961)
Thin-Layer Chromatography 0.12 (CH2Cl2)
Wiley ID 1894378