1,3-Dichloro-2-propanol(96-23-1) IR1
Product Name1,3-Dichloro-2-propanol
CAS96-23-1
Molecular FormulaC3H6Cl2O
Molecular Weight128.99
InChIInChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey DEWLEGDTCGBNGU-UHFFFAOYSA-N
SmilesC(Cl)C(O)CCl
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MassMS-NW-4341 1,3-dichloro-2-propanol C3H6Cl2O (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.2 26.0 1.4 27.0 4.7 29.0 4.3 31.0 3.8 36.0 1.4 37.0 1.0 38.0 1.3 39.0 3.2 41.0 1.0 42.0 2.9 43.0 37.5 44.0 2.4 48.0 1.1 49.0 8.3 50.0 1.2 51.0 2.9 57.0 1.2 61.0 1.2 62.0 2.8 64.0 1.2 75.0 1.7 78.0 2.0 79.0 100.0 80.0 2.9 81.0 33.9
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C3 H6 Cl2 O 0.04 ml : 0.5 ml CDCl3 1,3-dichloro-2-propanol 
Assign. Shift(ppm)
A 4.072 B 3.697 C 2.6 J(A,B)=5.2HZ. CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.371.63 4.150 23 370.38 4.136 70 367.19 4.100 28 365.50 4.082 99 364.75 4.073 78 361.75 4.040 34 359.88 4.019 120 355.13 3.966 70 333.44 3.724 1000 328.50 3.668 638 233.38 2.606 47
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1H NMR 300 MHz C3 H6 Cl2 O 0.04 ml : 0.5 ml CDCl3 1,3-dichloro-2-propanol Parameter ppm Hz
D(A) 4.072 D(B) 3.697 J(A,B) 5.24 D(C) 2.61
Hz ppm Int.1232.31 4.108 27 1226.98 4.090 99 1221.78 4.073 154 1216.51 4.055 118 1211.40 4.038 39 1111.66 3.706 1000 1106.44 3.688 897 783.00 2.610 29
in CDCl3
liquid film
