1-PHENYLHEPTADECANE(14752-75-1) 1H NMR
Molecular FormulaC23H40
Molecular Weight316.56
InChIInChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
InChIKey ZMPPFNHWXMJARX-UHFFFAOYSA-N
SmilesC1(CCCCCCCCCCCCCCCCC)=CC=CC=C1
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![](https://www.chemicalbook.com/Spectrum/14752-75-1_MS.gif)
Mass
MS-NW-1238
heptadecylbenzene
C23H40 (Mass of molecular ion: 316)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 3.6
27.0 2.0
28.0 1.2
29.0 5.3
39.0 1.4
41.0 10.3
42.0 2.2
43.0 17.5
44.0 1.2
55.0 7.0
56.0 2.0
57.0 12.0
65.0 1.8
67.0 1.0
69.0 3.1
70.0 1.1
71.0 5.4
77.0 1.1
78.0 2.7
79.0 1.7
83.0 1.8
85.0 3.0
91.0 52.4
92.0 100.0
93.0 8.1
94.0 1.4
97.0 1.0
104.0 5.2
105.0 9.0
106.0 3.4
117.0 1.5
119.0 2.7
133.0 7.4
134.0 2.2
147.0 1.2
316.0 17.3
317.0 4.3
400 MHz in CDCl3
90 MHz in CDCl3
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![](https://www.chemicalbook.com/Spectrum/14752-75-1_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C23 H40
|
11.7 mg : 0.5 ml CDCl3
|
heptadecylbenzene
|
![ChemicalStructure](Spectrum/14752-75-1_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 7.27
B 7.18
C 7.17
D 2.595
E 1.601
F 1.31
G 1.25
J 0.88
|
Hz ppm Int.
2914.31 7.293 38
2906.86 7.274 69
2905.88 7.272 75
2872.56 7.188 136
2865.48 7.170 96
2863.65 7.166 46
1045.41 2.616 46
1037.84 2.597 57
1029.79 2.577 53
525.76 1.316 54
524.05 1.312 59
522.95 1.309 61
522.09 1.307 63
521.12 1.304 63
520.75 1.304 64
520.02 1.302 65
519.41 1.300 66
517.70 1.296 68
516.60 1.293 68
515.99 1.292 68
515.50 1.290 69
515.14 1.289 69
514.77 1.289 69
513.31 1.285 61
511.84 1.281 64
511.23 1.280 63
510.62 1.278 63
500.49 1.253 1000
489.26 1.225 34
358.28 0.897 54
351.68 0.880 184
344.60 0.863 69
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![](https://www.chemicalbook.com/Spectrum/14752-75-1_1HNMR.gif)
1H NMR |
89.56 MHz |
C23 H40
|
0.04 ml : 0.5 ml CDCl3
|
heptadecylbenzene
|
![ChemicalStructure](Spectrum/14752-75-1_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 7.44 to 6.97
B 2.58
C 1.60
D 1.26
E 0.88
|
Hz ppm Int.
645.50 7.208 102
644.13 7.193 108
233.00 2.602 24
225.00 2.513 22
112.56 1.257 1000
78.75 0.880 53