2-Phenoxyethanol(122-99-6) 1H NMR
Product Name2-Phenoxyethanol
CAS122-99-6
Molecular FormulaC8H10O2
Molecular Weight138.16
InChIInChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey QCDWFXQBSFUVSP-UHFFFAOYSA-N
SmilesC(O)COC1=CC=CC=C1
-
MassMS-NW-0097 2-phenoxyethanol C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 95 °C Reservoir, 75 eV
18.0 3.9 27.0 2.8 28.0 5.2 29.0 1.6 31.0 1.5 32.0 2.0 38.0 1.4 39.0 6.6 40.0 2.0 43.0 2.0 45.0 8.8 50.0 2.7 51.0 8.6 55.0 1.5 63.0 1.9 65.0 6.8 66.0 9.9 77.0 23.8 78.0 3.0 79.0 3.9 91.0 1.4 93.0 1.1 94.0 100.0 95.0 14.3 107.0 7.3 138.0 38.6 139.0 3.5
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H10 O2 0.04 ml : 0.5 ml CDCl3 2-phenoxyethanol 
Assign. Shift(ppm)
A 7.264 B 6.95 C 6.90 D 4.049 E 3.944 F 2.40 to 2.28
Hz ppm Int.660.94 7.380 170 660.38 7.374 117 659.94 7.369 171 658.81 7.357 81 658.00 7.348 112 655.25 7.317 78 654.50 7.308 159 653.81 7.301 254 652.38 7.285 450 650.63 7.265 166 650.19 7.260 154 649.38 7.251 107 648.06 7.237 198 647.06 7.225 206 645.38 7.207 426 645.00 7.202 443 644.25 7.194 393 642.06 7.170 109 630.81 7.044 109 629.75 7.032 176 629.25 7.027 220 628.25 7.015 277 624.94 6.978 179 622.88 6.955 1000 621.75 6.943 488 620.88 6.933 457 618.75 6.909 67 616.25 6.881 255 614.50 6.862 436 613.69 6.853 358 613.25 6.848 349 369.81 4.130 143 367.94 4.109 191 366.63 4.094 222 364.69 4.073 305 363.81 4.063 338 362.88 4.052 393 360.56 4.026 817 359.81 4.018 790 356.13 3.977 875 355.38 3.969 822 353.13 3.943 454 352.13 3.932 373 351.31 3.923 334 349.31 3.901 242 348.06 3.887 222 347.00 3.875 58 346.13 3.865 163 214.69 2.398 68 212.75 2.376 58 212.13 2.369 55 211.69 2.364 61 207.81 2.321 253
-
1H NMR 399.65 MHz C8 H10 O2 0.05 ml : 0.5 ml CDCl3 2-phenoxyethanol Assign. Shift(ppm)
A 7.239 B 6.929 C 6.873 D 3.984 E 3.882 F 3.21 ASSIGNED BY C-H COSY. J(E,F)=6.1HZ
Hz ppm Int.2904.42 7.268 90 2901.98 7.262 622 2901.12 7.260 254 2899.78 7.256 244 2897.09 7.250 127 2894.65 7.243 821 2893.19 7.240 791 2890.87 7.234 173 2887.94 7.227 287 2885.86 7.221 772 2883.42 7.215 146 2777.59 6.951 194 2776.49 6.948 369 2775.39 6.945 232 2773.07 6.939 36 2772.46 6.938 34 2770.39 6.933 266 2769.17 6.929 610 2768.31 6.927 328 2762.82 6.914 173 2761.72 6.911 304 2760.74 6.908 189 2754.03 6.892 141 2753.30 6.890 154 2751.95 6.886 780 2750.85 6.884 889 2750.00 6.882 502 2748.66 6.878 297 2745.12 6.869 278 2744.14 6.867 440 2743.04 6.864 806 2742.07 6.862 712 2739.50 6.855 147 1597.78 3.998 571 1595.70 3.993 204 1593.51 3.988 969 1592.04 3.984 563 1589.72 3.978 279 1588.50 3.975 1000 1558.72 3.901 459 1555.18 3.892 287 1553.47 3.888 560 1552.86 3.886 560 1549.19 3.877 470 1547.73 3.873 519 1545.41 3.867 145 1543.46 3.863 321 1288.21 3.224 382 1282.23 3.209 761 1276.12 3.194 358
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
