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(4-BROMO-2-THIENYL)-4-PYRAZOLYL-KETONE
SpectraBase Compound ID CXTg2AiExv8
InChI InChI=1S/C8H5BrN2OS/c9-6-1-7(13-4-6)8(12)5-2-10-11-3-5/h1-4H,(H,10,11)
InChIKey YKYBYPIKSZPVIN-UHFFFAOYSA-N
Mol Weight 257.1 g/mol
Molecular Formula C8H5BrN2OS
Exact Mass 255.930597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPyZqFdkI9w
Name (4-bromanylthiophen-2-yl)-(1H-pyrazol-4-yl)methanone
Alternate Name(s) (4-bromo-2-thienyl)-(1H-pyrazol-4-yl)methanone (4-bromo-2-thiophenyl)-(1H-pyrazol-4-yl)methanone (4-bromothiophen-2-yl)-(1H-pyrazol-4-yl)methanone
Comments Less than 3 mono-isotopic peaks
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Formula C8H5BrN2OS
InChI InChI=1S/C8H5BrN2OS/c9-6-1-7(13-4-6)8(12)5-2-10-11-3-5/h1-4H,(H,10,11)
InChIKey YKYBYPIKSZPVIN-UHFFFAOYSA-N
Molecular Weight 257.105 g/mol
SMILES [nH]1ncc(c1)C(c1cc(Br)cs1)=O
SPLASH splash10-0002-9040000000-8cf68e9d20f801633275
Source of Spectrum Y-28-1191-11
Wiley ID 1259149