苯氧乙醇(122-99-6)Raman光譜
InChI:InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
Smiles:C(O)COC1=CC=CC=C1
-
Mass
MS-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
400 MHz in CDCl3
90 MHz in CDCl3
-
| 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
-
| 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