4-乙基間苯二酚(2896-60-8)核磁圖(1HNMR)
InChI:InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
InChIKey: VGMJYYDKPUPTID-UHFFFAOYSA-N
Smiles:C1(O)=CC=C(CC)C(O)=C1
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Mass
MS-NW-1275
4-ethylresorcinol
C8H10O2 (Mass of molecular ion: 138)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 3.3
28.0 1.2
38.0 1.2
39.0 6.3
40.0 1.2
41.0 4.7
43.0 3.5
50.0 1.5
51.0 3.7
52.0 1.3
53.0 3.0
55.0 4.9
61.5 1.4
63.0 1.9
65.0 4.7
66.0 1.9
67.0 6.1
68.0 1.0
69.0 5.2
77.0 4.1
79.0 1.4
81.0 1.6
91.0 3.3
94.0 1.4
95.0 4.9
110.0 1.1
123.0 100.0
124.0 7.7
137.0 2.9
138.0 40.9
139.0 3.6
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C8 H10 O2
|
0.058 g : 0.5 ml CDCl3
|
| 4-ethylresorcinol
|
 |
Assign. Shift(ppm)
A 6.962
B 6.36
C 6.32
D 4.8
E 2.544
F 1.201
|
Hz ppm Int.
628.31 7.016 144
626.81 6.999 92
621.19 6.937 116
619.75 6.920 186
574.63 6.417 165
572.25 6.390 287
568.94 6.353 80
566.69 6.328 293
565.19 6.311 719
562.19 6.278 44
426.06 4.758 90
239.75 2.677 99
232.31 2.594 319
224.81 2.511 358
217.19 2.426 144
114.56 1.280 524
111.19 1.242 46
109.63 1.225 65
107.19 1.197 1000
103.44 1.155 56
102.44 1.144 55
102.06 1.140 56
101.56 1.134 58
99.63 1.113 404
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| 1H NMR |
399.65 MHz |
| C8 H10 O2
|
saturated in CDCl3
|
| 4-ethylresorcinol
|
|
Assign. Shift(ppm)
A 6.968
B 6.364
C 6.320
D 4.86
E 2.549
F 1.198
J(A,B)=8.2HZ. J(B,C)=2.6HZ.
|
Hz ppm Int.
2789.18 6.980 171
2781.01 6.959 183
2548.95 6.378 129
2546.39 6.372 163
2540.77 6.358 118
2538.21 6.352 162
2527.10 6.324 263
2524.54 6.317 206
1943.97 4.865 61
1030.15 2.578 91
1022.71 2.560 268
1015.14 2.541 274
1007.57 2.522 98
486.33 1.217 487
482.30 1.207 34
478.88 1.199 1000
474.73 1.188 40
474.12 1.187 37
473.63 1.186 39
471.31 1.180 481
469.24 1.175 47