1-CHLORO-2-METHYL-2-PROPANOL(558-42-9) IR1
Product Name1-CHLORO-2-METHYL-2-PROPANOL
CAS558-42-9
Molecular FormulaC4H9ClO
Molecular Weight108.57
InChIInChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
InChIKey JNOZGFXJZQXOSU-UHFFFAOYSA-N
SmilesC(Cl)C(C)(O)C
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MassMS-IW-9110 1-chloro-2-methyl-2-propanol C4H9ClO (Mass of molecular ion: 108)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.8 18.0 1.4 26.0 1.6 27.0 10.3 28.0 2.7 29.0 30.8 31.0 27.7 36.0 5.0 38.0 2.6 39.0 8.7 40.0 1.0 41.0 16.9 42.0 3.1 43.0 23.4 49.0 3.6 50.0 1.0 51.0 1.9 53.0 2.2 54.0 1.7 55.0 14.2 56.0 1.9 57.0 28.0 58.0 1.5 59.0 100.0 60.0 3.5 63.0 1.2 65.0 1.0 72.0 3.1 75.0 1.5 77.0 1.2 90.0 2.7 91.0 2.6 92.0 1.4 93.0 48.3 94.0 1.8 95.0 15.5
parameter in CDCl3
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1H NMR 300 MHz C4 H9 Cl O 0.05 ml : 0.5 ml CDCl3 1-chloro-2-methyl-2-propanol 
Parameter ppm Hz
D(A) 2.505 D(B) 2.75 D(C) 1.317
Hz ppm Int.825.00 2.750 167 751.51 2.505 333 395.10 1.317 1000
in CDCl3
liquid film
