Product NamePropylene oxide
CAS75-56-9
Molecular FormulaC3H6O
Molecular Weight58.08
InChIInChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKey GOOHAUXETOMSMM-UHFFFAOYSA-N
SmilesO1CC1C
Mass
MS-NW-0785 2-methyloxirane C3H6O (Mass of molecular ion: 58)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 3.0 15.0 10.8 25.0 1.7 26.0 27.7 27.0 49.8 28.0 100.0 29.0 36.1 30.0 5.6 31.0 31.6 37.0 1.9 38.0 2.6 39.0 6.2 40.0 1.3 41.0 2.9 42.0 3.6 43.0 37.0 55.0 1.3 57.0 7.8 58.0 81.4 59.0 2.8
90 MHz in CDCl3
parameter neat
1H NMR | 89.56 MHz |
C3 H6 O | 0.04 ml : 0.5 ml CDCl3 |
2-methyloxirane |
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Assign. Shift(ppm) |
Hz ppm Int.
278.50 3.110 32 275.81 3.080 38 274.56 3.066 48 273.25 3.052 93 271.88 3.036 54 270.56 3.021 100 269.31 3.008 132 268.13 2.994 99 266.63 2.978 137 265.44 2.964 106 264.19 2.950 142 263.13 2.939 47 261.50 2.920 145 260.44 2.908 47 259.19 2.895 63 256.50 2.865 63 250.69 2.800 160 250.19 2.794 160 249.63 2.788 67 246.75 2.756 127 246.19 2.749 170 245.63 2.743 244 245.06 2.737 222 244.56 2.731 92 241.69 2.699 162 241.13 2.693 150 240.63 2.687 56 220.94 2.467 228 220.63 2.464 212 218.25 2.437 214 217.94 2.434 200 215.81 2.410 164 215.50 2.407 160 213.19 2.381 148 212.81 2.377 146 120.50 1.346 1000 118.06 1.319 51 115.38 1.289 967
1H NMR | 300 MHz |
C3 H6 O | neat |
2-methyloxirane |
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Parameter ppm Hz |
Hz ppm Int.
865.73 2.886 29 863.16 2.877 34 861.82 2.873 42 860.60 2.869 92 859.28 2.864 49 858.03 2.860 100 856.71 2.856 109 855.45 2.851 104 854.15 2.847 113 852.89 2.843 107 851.58 2.839 108 850.34 2.834 49 849.02 2.830 105 847.77 2.826 43 846.45 2.821 39 843.89 2.813 35 781.55 2.605 137 781.15 2.604 138 777.20 2.591 157 776.25 2.587 178 772.30 2.574 141 771.91 2.573 140 687.58 2.292 186 685.03 2.283 184 682.21 2.274 170 679.66 2.266 161 366.76 1.223 1000 361.63 1.205 981
in CDCl3
CCl4 solution
liquid film
Propylene oxide(75-56-9) 13C NMR Atlas of Related Products
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