苝(198-55-0)紅外圖譜(IR2)
InChI:InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
InChIKey: CSHWQDPOILHKBI-UHFFFAOYSA-N
Smiles:C1=C2C3=C(C4C5=C(C=CC=C52)C=CC=4)C=CC=C3C=C1
-
Mass
MS-NW-0115
perylene
C20H12 (Mass of molecular ion: 252)
Source Temperature: 220 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 2.4
28.0 3.4
32.0 1.4
112.0 3.0
112.5 1.0
113.0 3.1
124.0 4.1
124.5 2.6
125.0 10.7
125.5 2.8
126.0 13.8
126.5 3.0
224.0 1.6
226.0 1.2
248.0 3.4
249.0 2.8
250.0 18.1
251.0 6.4
252.0 100.0
253.0 22.1
254.0 2.3
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C20 H12
|
saturated in CDCl3
|
| perylene
|
 |
Assign. Shift(ppm)
A 8.188
B 7.678
C 7.479
J(A,C)=J(B,C)=7.6HZ.
|
Hz ppm Int.
3282.10 8.213 27
3276.37 8.199 691
3268.68 8.179 749
3260.74 8.159 41
3258.54 8.154 30
3257.93 8.152 28
3257.69 8.152 28
3256.96 8.150 28
3256.47 8.149 28
3255.62 8.147 27
3080.08 7.707 26
3072.75 7.689 638
3064.82 7.669 784
3056.15 7.648 34
3055.18 7.645 29
3054.08 7.642 26
3000.37 7.508 42
2996.22 7.498 689
2988.65 7.479 1000
2980.71 7.459 549
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| 1H NMR |
89.56 MHz |
| C20 H12
|
0.017 g : 0.5 ml CDCl3
|
| perylene
|
|
Assign. Shift(ppm)
A 8.179
B 7.662
C 7.478
400MHZ : HSP-40-299
|
Hz ppm Int.
737.19 8.232 545
735.81 8.216 530
730.00 8.151 640
728.63 8.136 693
692.56 7.733 320
691.13 7.717 413
689.25 7.696 71
684.38 7.642 883
683.00 7.627 783
681.00 7.604 69
677.69 7.567 59
675.56 7.544 1000
668.31 7.463 858
667.38 7.452 501
660.19 7.372 345