Chloral hydrate(302-17-0) 1H NMR
Product NameChloral hydrate
CAS302-17-0
Molecular FormulaC2H3Cl3O2
Molecular Weight165.4
InChIInChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
InChIKey RNFNDJAIBTYOQL-UHFFFAOYSA-N
SmilesC(O)(O)C(Cl)(Cl)Cl
-
MassMS-NW-1835 2,2,2-trichloro-1,1-ethanediol C2H3Cl3O2 (Mass of molecular ion: 164)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 3.5 13.0 4.7 16.0 1.0 17.0 8.5 18.0 35.5 24.0 1.4 25.0 4.1 28.0 5.3 29.0 73.1 35.0 17.9 36.0 4.0 37.0 5.9 38.0 1.3 40.0 2.2 47.0 67.2 48.0 22.3 49.0 22.3 50.0 7.0 59.0 1.4 60.0 4.5 62.0 1.4 82.0 100.0 83.0 51.7 84.0 63.4 85.0 32.7 86.0 10.7 87.0 5.1 110.0 7.8 111.0 53.7 112.0 6.2 113.0 34.0 114.0 1.6 115.0 5.4 117.0 9.0 118.0 7.4 119.0 8.6 120.0 7.2 121.0 2.8 122.0 2.3 146.0 3.1 148.0 3.0
parameter in CDCl3
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1H NMR 300 MHz C2 H3 Cl3 O2 0.040 g : 0.5 ml CDCl3 2,2,2-trichloro-1,1-ethanediol 
Parameter ppm Hz
D(A) 9.051
Hz ppm Int.2715.30 9.051 1000
KBr disc
nujol mull
4880 A,200 M,powder
