Tetrahydrofurfuryl bromide(1192-30-9) 13C NMR
Product NameTetrahydrofurfuryl bromide
CAS1192-30-9
Molecular FormulaC5H9BrO
Molecular Weight165.03
InChIInChI=1S/C5H9BrO/c6-4-5-2-1-3-7-5/h5H,1-4H2
InChIKey VOHILFSOWRNVJJ-UHFFFAOYSA-N
SmilesO1CCCC1CBr
-
MassMS-NW-3436 tetrahydrofurfuryl bromide C5H9BrO (Mass of molecular ion: 164)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.7 15.0 4.6 26.0 6.4 27.0 32.1 28.0 6.4 29.0 11.9 30.0 1.1 31.0 3.0 37.0 1.7 38.0 3.7 39.0 23.9 40.0 4.7 41.0 36.5 42.0 15.3 43.0 54.2 44.0 2.0 50.0 2.5 51.0 2.6 52.0 1.2 53.0 6.7 54.0 4.1 55.0 17.6 56.0 1.5 57.0 1.3 67.0 1.4 69.0 1.3 71.0 100.0 72.0 4.8 79.0 1.3 80.0 1.1 81.0 1.5 82.0 1.2 83.0 1.0 84.0 2.0 85.0 3.1 93.0 3.4 94.0 1.1 95.0 3.1 106.0 1.4 108.0 1.4 121.0 2.1 123.0 2.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H9 Br O 0.04 ml : 0.5 ml CDCl3 tetrahydrofurfuryl bromide 
Assign. Shift(ppm)
A 4.13 B 3.86 C *1 3.43 D *1 3.37 E 2.32 to 1.49 J(A,C)=5.3HZ. J(A,D)=6.2HZ. J(C,D)=-10.1HZ.
Hz ppm Int.383.50 4.283 34 378.19 4.223 74 377.19 4.212 119 374.63 4.184 32 371.81 4.152 157 370.88 4.142 156 368.50 4.115 47 365.50 4.082 152 361.19 4.033 30 358.75 4.006 72 357.13 3.988 106 355.44 3.969 170 354.06 3.954 68 352.50 3.936 100 350.63 3.916 233 348.88 3.896 312 347.94 3.885 168 346.31 3.867 104 343.88 3.840 312 343.19 3.832 237 342.31 3.823 236 340.75 3.805 66 339.31 3.789 87 337.63 3.770 163 336.75 3.761 56 335.63 3.748 82 334.56 3.736 55 317.19 3.542 49 311.88 3.483 56 306.94 3.428 1000 306.38 3.421 939 301.69 3.369 740 300.19 3.352 753 296.19 3.308 56 290.00 3.239 55 197.31 2.204 68 196.31 2.192 45 194.44 2.172 65 191.19 2.135 119 187.88 2.098 33 186.63 2.084 102 184.56 2.061 310 183.06 2.044 102 180.19 2.012 351 179.56 2.005 328 177.88 1.987 336 173.63 1.939 468 171.19 1.912 214 168.38 1.881 297 167.44 1.870 270 166.94 1.865 290 165.06 1.844 219 163.88 1.830 162 161.88 1.808 163 160.44 1.792 41 158.50 1.770 207 156.44 1.747 53 155.94 1.742 54 154.06 1.721 57 152.19 1.700 163 150.94 1.686 41 147.44 1.647 62 145.44 1.624 64
in CDCl3
liquid film
