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Chloral betaine
SpectraBase Compound ID eVrXML7jE8
InChI InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H
InChIKey ONAOIDNSINNZOA-UHFFFAOYSA-N
Mol Weight 282.55 g/mol
Molecular Formula C7H14Cl3NO4
Exact Mass 280.998841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16pzPQhP4PY
Name Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, compd. with 2,2,2-trichloro-1,1-ethanediol (1:1)
Alternate Name(s) 2,2,2-trichloroethane-1,1-diol; 2-(trimethylazaniumyl)acetate Betainchloralum Betaine, compd. with chloral hydrate (1:1) Chloral betaine Chloral hydrate betaine (1:1) compound Chloral hydrate-betaine adduct Cloral betaina Cloralum betainum Somilan Somnalchlor 2,2,2-trichloroethane-1,1-diol;2-(trimethylazaniumyl)acetate 2-(trimethylazaniumyl)ethanoate;2,2,2-tris(chloranyl)ethane-1,1-diol DEA NO. 2460 EINECS 218-722-1
CAS Registry Number 2218-68-0
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Formula C7H14Cl3NO4
InChI InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H
InChIKey ONAOIDNSINNZOA-UHFFFAOYSA-N
Molecular Weight 282.551 g/mol
SMILES C([O-])(=O)C[N+](C)(C)C.OC(C(Cl)(Cl)Cl)O
SPLASH splash10-001i-9400000000-bea5e6e4461a62827de8
Source of Spectrum JZ-1992-5527-0
Wiley ID 1284585