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Chloralhydrate

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Chloralhydrate
SpectraBase Compound ID 9nVXM677jWd
InChI InChI=1S/C2H3Cl3O2.C2HCl3O.O/c3-2(4,5)1(6)7;3-2(4,5)1-6;/h1,6-7H;1H;
InChIKey XBNXJNRTPIUXQJ-UHFFFAOYSA-N
Mol Weight 328.79 g/mol
Molecular Formula C4H4Cl6O4
Exact Mass 325.824075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QiLW6L5QVc
Name CHLORAL, HYDRATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 302-17-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C2HCl3O H2O
InChI InChI=1S/C2H3Cl3O2.C2HCl3O.O/c3-2(4,5)1(6)7;3-2(4,5)1-6;/h1,6-7H;1H;
InChIKey XBNXJNRTPIUXQJ-UHFFFAOYSA-N
Molecular Weight 165.40
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CHLORAL, HYDRATE 1,1-ETHANEDIOL, 2,2,2-TRICHLORO-,