Tetrahydrofurfuryl chloride(3003-84-7) MS
Product NameTetrahydrofurfuryl chloride
CAS3003-84-7
Molecular FormulaC5H9ClO
Molecular Weight120.58
InChIInChI=1S/C5H9ClO/c6-4-5-2-1-3-7-5/h5H,1-4H2
InChIKey IVJLGIMHHWKRAN-UHFFFAOYSA-N
SmilesO1CCCC1CCl
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MassMS-NW-1058 tetrahydrofurfuryl chloride C5H9ClO (Mass of molecular ion: 120)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.4 26.0 1.7 27.0 14.9 28.0 1.0 29.0 5.1 31.0 1.1 39.0 8.2 40.0 2.5 41.0 26.6 42.0 17.5 43.0 42.1 44.0 1.4 49.0 3.2 51.0 1.0 53.0 2.3 54.0 1.6 55.0 7.7 62.0 1.7 71.0 100.0 72.0 4.6 75.0 1.3 77.0 2.5 79.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O 0.02 ml : 0.5 ml CDCl3 tetrahydrofurfuryl chloride 
Assign. Shift(ppm)
A 4.15 B 3.87 C *1 3.56 D *1 3.50 E 2.24 to 1.61
Hz ppm Int.371.56 4.149 146 371.25 4.146 147 350.50 3.914 171 348.50 3.892 269 347.69 3.883 141 343.88 3.840 278 342.81 3.828 170 342.00 3.819 160 318.81 3.560 1000 313.69 3.503 600 312.56 3.490 548 183.19 2.046 207 182.81 2.042 213 179.75 2.008 235 179.25 2.002 240 176.75 1.974 339 174.56 1.950 197 173.31 1.936 347 172.81 1.930 343 172.19 1.923 270 171.44 1.915 214 170.00 1.899 195 169.19 1.890 185 168.44 1.881 253 167.56 1.871 194 166.63 1.861 261 164.88 1.842 149 164.31 1.835 149 159.94 1.786 155
in CDCl3
CCl4 solution
liquid film
