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1,5-dihydroxy-2,2,4,4-tetrachloro-3-pentanone, hemihydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

1,5-dihydroxy-2,2,4,4-tetrachloro-3-pentanone, hemihydrate
SpectraBase Compound ID KjflvQy8ATJ
InChI InChI=1S/2C5H6Cl4O3.H2O/c2*6-4(7,1-10)3(12)5(8,9)2-11;/h2*10-11H,1-2H2;1H2
InChIKey DWLFVOCCJBUGOV-UHFFFAOYSA-N
Mol Weight 264.92 g/mol
Molecular Formula C5H6Cl4O3·½H2O
Exact Mass 262.912387 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ElGf0gZyLTT
Name 1,5-DIHYDROXY-2,2,4,4-TETRACHLORO-3-PENTANONE, HEMIHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6Cl4O3 1/2H2O
InChI InChI=1S/2C5H6Cl4O3.H2O/c2*6-4(7,1-10)3(12)5(8,9)2-11;/h2*10-11H,1-2H2;1H2
InChIKey DWLFVOCCJBUGOV-UHFFFAOYSA-N
Melting Point 96-101C
Molecular Weight 264.92
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 3-PENTANONE, 1,5-DIHYDROXY-2,2,4,4- TETRACHLORO-, HEMIHYDRATE