Propylene glycol(57-55-6) 13C NMR
Product NamePropylene glycol
CAS57-55-6
Molecular FormulaC3H8O2
Molecular Weight76.09
InChIInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
SmilesC(O)C(O)C
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MassMS-NW-5528 1,2-propanediol C3H8O2 (Mass of molecular ion: 76)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.7 18.0 2.0 19.0 6.3 26.0 1.6 27.0 10.8 28.0 3.4 29.0 8.7 31.0 11.5 33.0 1.6 39.0 1.4 41.0 1.8 42.0 1.7 43.0 15.4 44.0 5.7 45.0 100.0 46.0 2.6 57.0 2.3 58.0 1.7 61.0 5.3
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C3 H8 O2 0.04 ml : 0.5 ml CDCl3 1,2-propanediol 
Assign. Shift(ppm)
A 3.92 B 3.86 C *1 3.57 D *1 3.39 E 1.137 J(A,E)=6.4HZ. J(C,D)=-11.2HZ. J(A,C)=3.1HZ. J(A,D)=7.6HZ.
Hz ppm Int.356.25 3.978 54 355.88 3.974 52 353.25 3.945 47 352.00 3.931 30 350.00 3.908 50 348.63 3.893 70 345.38 3.857 1000 342.31 3.823 75 340.75 3.805 32 339.25 3.788 66 329.50 3.680 46 326.38 3.645 46 318.25 3.554 147 315.19 3.520 117 309.88 3.461 221 302.25 3.375 159 298.63 3.335 76 291.00 3.250 62 105.00 1.173 934 98.69 1.102 907
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in CDCl3
liquid film
4880 A,200 M,liquid
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