3-Chloro-2,2-dimethyl-1-propanol(13401-56-4) Raman
Product Name3-Chloro-2,2-dimethyl-1-propanol
CAS13401-56-4
Molecular FormulaC5H11ClO
Molecular Weight122.59
InChIInChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
InChIKey CAZPRAORHCOIHC-UHFFFAOYSA-N
SmilesC(O)C(C)(C)CCl
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MassMS-NW-7402 3-chloro-2,2-dimethyl-1-propanol C5H11ClO (Mass of molecular ion: 122)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 8.7 28.0 2.1 29.0 11.3 31.0 12.9 38.0 1.2 39.0 11.7 40.0 2.0 41.0 21.6 42.0 1.5 43.0 11.6 45.0 6.7 49.0 2.3 50.0 1.0 51.0 1.4 53.0 4.7 54.0 2.1 55.0 59.0 56.0 100.0 57.0 8.2 63.0 6.3 65.0 2.3 69.0 2.1 71.0 2.7 73.0 42.0 74.0 2.1 75.0 1.1 77.0 1.6 86.0 1.0 89.0 1.0 90.0 13.4 91.0 15.3 92.0 5.2 93.0 5.2 107.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H11 Cl O 0.05 ml : 0.5 ml CDCl3 3-chloro-2,2-dimethyl-1-propanol 
Assign. Shift(ppm)
A 4.16 B 3.435 C 3.395 D 0.961
Hz ppm Int.1668.82 4.176 152 1663.09 4.162 288 1657.35 4.148 148 1385.38 3.467 40 1372.80 3.436 807 1359.50 3.402 486 1353.64 3.388 452 445.80 1.116 37 411.01 1.029 22 409.30 1.025 26 408.33 1.022 29 396.48 0.993 139 384.16 0.962 1000 370.61 0.928 108 357.91 0.896 29 357.06 0.894 28 319.58 0.800 35
in CDCl3
liquid film
4880 A,200 M,liquid
