4-(羥甲基)苯甲酸甲酯(6908-41-4)Raman光譜
InChI:InChI=1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3
InChIKey: VBWFYEFYHJRJER-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=C(CO)C=C1
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Mass
MS-NW-7704
methyl p-(hydroxymethyl)benzoate
C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 270 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 6.7
27.0 3.5
28.0 4.1
29.0 4.3
31.0 4.3
38.0 2.2
39.0 7.0
50.0 10.2
51.0 16.5
52.0 5.0
53.0 5.3
55.0 1.1
59.0 11.5
61.0 4.9
62.0 2.4
63.0 6.5
64.0 1.6
65.0 1.9
67.0 2.0
74.0 3.4
75.0 4.2
76.0 5.7
77.0 45.0
78.0 10.2
79.0 35.4
80.0 2.7
89.0 36.2
90.0 5.9
91.0 6.2
92.0 1.0
93.0 4.4
103.0 1.8
104.0 2.4
105.0 23.9
106.0 7.5
107.0 100.0
108.0 7.9
118.0 1.8
119.0 2.3
120.0 1.2
121.0 2.8
133.0 11.3
134.0 3.7
135.0 92.5
136.0 9.2
137.0 42.2
138.0 4.1
149.0 1.5
151.0 4.5
163.0 1.7
164.0 2.4
165.0 4.0
166.0 34.7
167.0 3.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H10 O3
|
0.031 g : 0.5 ml CDCl3
|
| methyl p-(hydroxymethyl)benzoate
|
 |
Assign. Shift(ppm)
A 7.991
B 7.403
C 4.733
D 3.899
E 2.51
|
Hz ppm Int.
3198.00 8.003 241
3189.82 7.982 260
2962.65 7.414 227
2954.47 7.393 215
1891.97 4.735 366
1558.59 3.900 1000
1548.95 3.876 21
1548.71 3.876 21
1004.88 2.515 79
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| 1H NMR |
89.56 MHz |
| C9 H10 O3
|
0.037 g : 0.5 ml CDCl3
|
| methyl p-(hydroxymethyl)benzoate
|
|
Assign. Shift(ppm)
A 7.992
B 7.41
C 4.741
D 3.900
E 2.4
|
Hz ppm Int.
720.50 8.045 144
718.69 8.025 56
713.88 7.971 77
712.25 7.953 186
667.19 7.450 162
660.50 7.375 65
659.13 7.360 118
658.63 7.355 112
656.94 7.336 34
424.56 4.741 301
349.38 3.902 1000
346.31 3.867 31
210.06 2.346 35