對氨基苯甲酸異丙酯(94-12-2)紅外圖譜(IR3)
分子式:C10H13NO2
分子量: 179.22
InChI:InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
InChIKey: NBFQYHKHPBMJJV-UHFFFAOYSA-N
Smiles:C(OCCC)(=O)C1=CC=C(N)C=C1
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Mass
MS-NW-2075
propyl p-aminobenzoate
C10H13NO2 (Mass of molecular ion: 179)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.3
27.0 4.2
28.0 1.9
38.0 1.2
39.0 6.5
41.0 4.3
42.0 1.0
43.0 1.4
52.0 1.3
63.0 2.0
64.0 2.3
65.0 17.4
66.0 2.4
91.0 2.2
92.0 20.0
93.0 3.4
108.0 1.3
120.0 100.0
121.0 10.1
137.0 53.1
138.0 4.5
150.0 1.5
162.0 1.1
179.0 30.6
180.0 3.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C10 H13 N O2
|
0.039 g : 0.5 ml CDCl3
|
| propyl p-aminobenzoate
|
 |
Assign. Shift(ppm)
A 7.857
B 6.631
C 4.217
D 4.12
E 1.756
F 1.007
|
Hz ppm Int.
3147.09 7.875 74
3144.65 7.869 473
3142.58 7.864 151
3140.26 7.858 30
3137.94 7.852 164
3135.86 7.847 481
3133.42 7.841 58
2656.86 6.648 80
2654.30 6.642 532
2652.34 6.637 165
2647.58 6.625 173
2645.51 6.620 500
2643.07 6.614 61
1691.89 4.234 365
1685.30 4.217 717
1678.59 4.201 372
1646.61 4.121 135
719.48 1.801 40
712.77 1.784 104
712.04 1.782 144
705.32 1.765 286
697.88 1.747 290
691.16 1.730 148
683.84 1.712 45
409.67 1.026 527
406.49 1.018 33
402.34 1.007 1000
394.90 0.989 474
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| 1H NMR |
89.56 MHz |
| C10 H13 N O2
|
0.039 g : 0.5 ml CDCl3
|
| propyl p-aminobenzoate
|
|
Assign. Shift(ppm)
A 7.85
B 6.63
C 4.215
D 4.04
E 1.75
F 1.01
|
Hz ppm Int.
710.19 7.930 74
707.75 7.903 723
705.69 7.880 225
701.00 7.828 231
698.94 7.805 820
696.50 7.777 108
600.00 6.700 91
597.56 6.673 845
595.50 6.650 236
590.81 6.597 207
588.75 6.574 684
586.25 6.546 83
384.31 4.292 461
377.69 4.218 1000
373.75 4.174 40
371.13 4.144 537
368.63 4.117 65
368.13 4.111 66
362.13 4.044 186
354.19 3.955 41
169.25 1.890 33
167.63 1.872 71
162.63 1.816 39
161.19 1.800 128
154.69 1.728 97
153.69 1.717 162
146.94 1.641 100
97.06 1.084 270
90.13 1.007 508
89.50 1.000 313
82.44 0.921 159
81.50 0.911 88