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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaUYFsoqDyJ
Name (4-BROMO-2-THIENYL)-4-PYRAZOLYL-KETONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author M.HAHN,G.HEINISCH,W.HOLZER,H.SCHWARZ
Literature Reference Citation J.HETCYCL.CHEM.,28,1189(1991)
Literature Reference DOI 10.1002/jhet.5570280505
Molecular Weight 257.104 g/mol
Solvent DMSO-D6
Source File Reference UWCS22002