Propylene carbonate (108-32-7) 13C NMR
Product NamePropylene carbonate
CAS108-32-7
Molecular FormulaC4H6O3
Molecular Weight102.09
InChIInChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
InChIKey RUOJZAUFBMNUDX-UHFFFAOYSA-N
SmilesO1CC(C)OC1=O
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MassMS-NW-0810 propylene carbonate C4H6O3 (Mass of molecular ion: 102)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.5 15.0 13.3 26.0 9.7 27.0 26.4 28.0 63.8 29.0 37.4 30.0 39.6 31.0 5.7 38.0 1.5 39.0 5.5 40.0 1.4 41.0 4.1 42.0 4.7 43.0 77.8 44.0 5.5 45.0 3.6 55.0 1.1 56.0 1.7 57.0 100.0 58.0 13.6 59.0 1.7 87.0 20.0 102.0 5.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 O3 0.02 ml : 0.5 ml CDCl3 propylene carbonate 
Assign. Shift(ppm)
A 4.854 B *1 4.56 C *1 4.04 D 1.497
Hz ppm Int.440.63 4.920 54 439.63 4.909 76 439.19 4.904 80 433.56 4.842 71 433.00 4.835 85 432.06 4.825 88 426.06 4.758 89 416.31 4.649 156 408.69 4.564 124 408.06 4.557 267 400.50 4.472 183 368.13 4.111 251 361.06 4.032 216 359.94 4.019 177 352.94 3.941 99 137.00 1.530 1000 130.88 1.462 921
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
