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3-Bromo-4-phenyl-1,2,5-thiadiazole
SpectraBase Compound ID JDCLfnFiB4J
InChI InChI=1S/C8H5BrN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKey VWGNTXXMTIVDGZ-UHFFFAOYSA-N
Mol Weight 241.11 g/mol
Molecular Formula C8H5BrN2S
Exact Mass 239.935682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KP6kqeckdm
Name 3-Bromo-4-phenyl-1,2,5-thiadiazole
Alternate Name(s) 3-bromanyl-4-phenyl-1,2,5-thiadiazole
Comments Less than 3 mono-isotopic peaks
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Formula C8H5BrN2S
InChI InChI=1S/C8H5BrN2S/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H
InChIKey VWGNTXXMTIVDGZ-UHFFFAOYSA-N
Molecular Weight 241.106 g/mol
SMILES c1(c(nsn1)Br)-c1ccccc1
SPLASH splash10-000l-0890000000-d8cf3689917e69945563
Source of Spectrum KC-0-113-2
Wiley ID 824115