1-PHENYLHEPTADECANE(14752-75-1) 13C NMR
Product Name1-PHENYLHEPTADECANE
CAS14752-75-1
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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MassMS-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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1H NMR 399.65 MHz C23 H40 11.7 mg : 0.5 ml CDCl3 heptadecylbenzene 
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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1H NMR 89.56 MHz C23 H40 0.04 ml : 0.5 ml CDCl3 heptadecylbenzene 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
in CDCl3
liquid film
