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5-Bromo-6H-cyclohepta[c][1,2,5]thiadiazo-4-one
SpectraBase Compound ID 2duJk0Gy84O
InChI InChI=1S/C7H3BrN2OS/c8-4-2-1-3-5-6(7(4)11)10-12-9-5/h1-3H
InChIKey RVUIAHSEMFQCBE-UHFFFAOYSA-N
Mol Weight 243.08 g/mol
Molecular Formula C7H3BrN2OS
Exact Mass 241.914947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKd2q9lmGO4
Name 5-Bromo-6H-cyclohepta[c][1,2,5]thiadiazo-4-one
Comments Note: The molecular formula of the structure shown is C7H3BrN2OS - which differs from the formula reported for the mass spectrum (C7H3BrN2Os)
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Formula C7H3BrN2Os
InChI InChI=1S/C7H3BrN2OS/c8-4-2-1-3-5-6(7(4)11)10-12-9-5/h1-3H
InChIKey RVUIAHSEMFQCBE-UHFFFAOYSA-N
Molecular Weight 243.078 g/mol
SMILES c12C(C(=CC=Cc2nsn1)Br)=O
SPLASH splash10-000f-1490000000-056529b918336a1c796a
Source of Spectrum AJ-62-2422-5
Synonyms 5-Bromo-4H-cyclohepta[c][1,2,5]thiadiazol-4-one
Wiley ID 1362350