1-PHENYLPENTADECANE(2131-18-2) 1H NMR
Product Name1-PHENYLPENTADECANE
CAS2131-18-2
Molecular FormulaC21H36
Molecular Weight288.51
InChIInChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3
InChIKey JIRNEODMTPGRGV-UHFFFAOYSA-N
SmilesC1(CCCCCCCCCCCCCCC)=CC=CC=C1
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MassMS-NW-5341 pentadecylbenzene C21H36 (Mass of molecular ion: 288)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.6 29.0 6.6 39.0 2.0 41.0 11.7 42.0 1.8 43.0 16.4 55.0 6.6 56.0 1.7 57.0 10.7 65.0 2.5 69.0 2.5 70.0 1.0 71.0 5.2 77.0 1.6 78.0 3.2 79.0 2.0 83.0 1.3 85.0 2.8 91.0 55.2 92.0 100.0 93.0 8.6 94.0 1.4 104.0 4.7 105.0 8.3 106.0 2.4 117.0 1.6 119.0 2.7 133.0 7.7 134.0 2.5 147.0 1.3 288.0 19.3 289.0 4.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C21 H36 0.04 ml : 0.5 ml CDCl3 pentadecylbenzene 
Assign. Shift(ppm)
A 7.41 to 6.99 B 2.59 C 1.59 D 1.26 E 0.89
Hz ppm Int.650.44 7.263 21 647.81 7.234 37 645.94 7.213 119 644.31 7.195 122 642.06 7.170 24 233.13 2.604 28 225.06 2.513 26 112.50 1.257 1000 78.75 0.880 62
in CDCl3
liquid film
