3-(4-甲氧基苯基)丙酸(1929-29-9)Raman光譜
InChI:InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKey: FIUFLISGGHNPSM-UHFFFAOYSA-N
Smiles:C1(CCC(O)=O)=CC=C(OC)C=C1
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Mass
MS-NW-6614
3-(p-methoxyphenyl)propionic acid
C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 1.3
39.0 3.1
41.0 1.2
45.0 1.0
50.0 1.5
51.0 3.2
52.0 1.3
63.0 2.5
64.0 1.2
65.0 3.7
77.0 7.3
78.0 4.0
79.0 1.5
89.0 1.4
90.0 1.1
91.0 7.3
92.0 1.7
103.0 1.6
105.0 1.4
119.0 2.4
121.0 100.0
122.0 9.1
134.0 3.5
135.0 1.1
162.0 1.3
180.0 25.4
181.0 3.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H12 O3
|
0.038 g : 0.5 ml CDCl3
|
| 3-(p-methoxyphenyl)propionic acid
|
 |
Assign. Shift(ppm)
A 11.
B 7.120
C 6.833
D 3.777
E 2.892
F 2.64
90MHZ:HSP-03-648
|
Hz ppm Int.
2850.25 7.132 165
2848.24 7.127 60
2843.66 7.116 61
2841.46 7.110 195
2734.86 6.844 225
2732.84 6.839 72
2728.26 6.827 64
2726.25 6.822 201
1509.48 3.778 1000
1164.39 2.914 75
1156.88 2.895 145
1148.82 2.875 103
1062.92 2.660 128
1058.15 2.648 31
1056.32 2.644 102
1055.04 2.640 211
1053.21 2.636 38
1047.90 2.623 91
1047.35 2.621 94
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| 1H NMR |
89.56 MHz |
| C10 H12 O3
|
0.044 g : 0.5 ml CDCl3
|
| 3-(p-methoxyphenyl)propionic acid
|
|
Assign. Shift(ppm)
A 11.
B 7.105
C 6.834
D 3.771
E 2.88
F 2.647
|
Hz ppm Int.
642.24 7.172 85
639.93 7.146 30
635.74 7.099 36
633.35 7.072 162
615.23 6.870 202
612.93 6.844 48
608.57 6.796 34
606.35 6.771 102
337.78 3.772 1000
259.59 2.899 59
252.42 2.819 74
242.85 2.712 101
241.56 2.698 86
236.61 2.642 68
235.50 2.630 103
232.17 2.593 32
228.83 2.556 37