酚酞(77-09-8)红外图谱(IR2)
InChI:InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKey: KJFMBFZCATUALV-UHFFFAOYSA-N
Smiles:C1(=O)C2=C(C=CC=C2)C(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)O1
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Mass
MS-NW-0269
3,3-bis(p-hydroxyphenyl)phthalide
C20H14O4 (Mass of molecular ion: 318)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 2.3
27.0 1.7
28.0 1.7
29.0 1.6
31.0 1.3
39.0 6.9
41.0 3.3
43.0 3.5
44.0 1.3
45.0 1.6
50.0 1.9
51.0 2.4
53.0 1.1
55.0 3.7
56.0 1.3
57.0 3.1
60.0 2.3
62.0 1.0
63.0 3.3
64.0 1.0
65.0 8.6
67.0 1.5
68.0 1.0
69.0 3.0
70.0 1.2
71.0 1.6
73.0 1.6
74.0 1.5
75.0 2.7
76.0 7.6
77.0 3.6
81.0 1.6
82.0 1.2
83.0 2.2
84.0 1.0
85.0 1.0
87.0 1.6
88.0 1.4
89.0 1.1
90.5 1.0
93.0 5.9
94.0 1.7
94.5 1.9
95.0 1.4
97.0 1.7
98.0 1.2
100.0 1.5
101.0 2.2
104.0 8.3
105.0 3.5
106.5 1.4
107.0 1.1
109.0 1.3
113.0 4.7
113.5 1.0
114.0 1.3
115.0 5.5
119.0 1.1
121.0 19.8
122.0 2.3
126.0 1.3
127.0 1.8
127.5 1.6
128.0 2.1
136.0 1.0
136.5 1.5
137.0 1.0
139.0 4.1
140.0 1.6
141.0 7.6
142.0 1.2
150.0 2.2
151.0 3.5
152.0 7.8
153.0 2.0
159.0 3.5
163.0 1.2
168.0 3.7
169.0 2.8
176.0 1.2
180.0 4.4
181.0 24.1
182.0 3.8
186.0 1.5
187.0 1.4
189.0 4.1
190.0 1.1
196.0 1.0
197.0 19.7
198.0 3.0
200.0 1.1
201.0 1.1
202.0 4.1
203.0 1.2
213.0 2.9
214.0 1.1
215.0 5.3
216.0 1.6
218.0 1.6
224.0 1.2
225.0 62.9
226.0 15.4
227.0 3.9
228.0 2.0
229.0 1.0
231.0 1.7
239.0 1.1
242.0 1.7
243.0 1.5
244.0 3.9
245.0 2.6
255.0 4.1
256.0 2.4
257.0 29.4
258.0 6.4
271.0 1.6
272.0 1.1
273.0 69.2
274.0 100.0
275.0 19.8
276.0 2.3
289.0 1.4
318.0 56.1
319.0 12.3
320.0 1.8
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C20 H14 O4
|
0.045 g : 0.5 ml DMSO-d6
|
| 3,3-bis(p-hydroxyphenyl)phthalide
|
 |
Assign. Shift(ppm)
A 9.65
B 8.00 to 7.51
C 7.10
D 6.79
|
Hz ppm Int.
864.38 9.652 1000
712.44 7.955 119
711.19 7.941 78
705.50 7.878 200
704.25 7.864 140
702.00 7.839 73
700.56 7.823 105
695.94 7.771 350
695.19 7.763 362
690.31 7.708 194
687.50 7.677 82
684.19 7.640 67
683.06 7.627 78
681.56 7.611 61
641.88 7.168 535
639.75 7.144 180
635.25 7.094 220
633.06 7.069 953
630.31 7.038 139
614.56 6.862 109
611.81 6.832 960
609.63 6.807 237
605.00 6.756 170
603.06 6.734 519
600.88 6.710 60
600.13 6.701 62
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| 1H NMR |
399.65 MHz |
| C20 H14 O4
|
0.038 g : 0.5 ml DMSO-d6
|
| 3,3-bis(p-hydroxyphenyl)phthalide
|
|
Assign. Shift(ppm)
A 9.70
B 7.916
C 7.816
D 7.768
E 7.646
F 7.109
G 6.788
|
Hz ppm Int.
3878.48 9.705 1000
3873.90 9.694 23
3168.03 7.928 159
3164.37 7.918 23
3160.40 7.908 184
3132.32 7.838 54
3125.00 7.820 148
3117.98 7.802 128
3106.99 7.775 221
3099.37 7.756 110
3062.90 7.664 98
3055.27 7.645 161
3048.25 7.628 74
2845.76 7.121 658
2837.07 7.099 764
2717.13 6.799 754
2708.44 6.778 670