1-PHENYLUNDECANE(6742-54-7) MS
Product Name1-PHENYLUNDECANE
CAS6742-54-7
Molecular FormulaC17H28
Molecular Weight232.4
InChIInChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
InChIKey XBEADGFTLHRJRB-UHFFFAOYSA-N
SmilesC1(CCCCCCCCCCC)=CC=CC=C1
-
MassMS2015-05124CW undecylbenzene C17H28 (Mass of molecular ion: 232)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 1.1 29.0 1.8 39.0 1.5 41.0 5.0 43.0 5.5 55.0 2.8 57.0 4.4 65.0 3.9 69.0 1.2 71.0 2.0 77.0 2.6 78.0 3.6 79.0 2.4 85.0 2.0 91.0 69.7 92.0 100.0 93.0 7.0 103.0 1.9 104.0 6.1 105.0 10.2 106.0 2.0 115.0 1.3 117.0 2.5 119.0 3.4 120.0 1.1 133.0 9.9 134.0 3.1 147.0 1.6 232.0 40.1 233.0 8.5
in CDCl3
90 MHz in CDCl3
-
-
1H NMR 89.56 MHz C17 H28 0.04 ml : 0.5 ml CDCl3 undecylbenzene 
Assign. Shift(ppm)
A 7.46 to 6.93 B 2.58 C 1.60 D 1.26 E 0.89
Hz ppm Int.650.06 7.259 54 647.81 7.234 52 645.56 7.209 332 644.13 7.193 314 640.50 7.152 47 639.94 7.146 42 638.06 7.125 33 636.63 7.109 33 239.81 2.678 36 232.88 2.601 71 225.00 2.513 68 224.88 2.511 68 129.88 1.451 30 129.38 1.445 31 128.38 1.434 32 127.75 1.427 33 124.81 1.394 40 122.56 1.369 51 112.56 1.257 1000 83.88 0.937 53 82.19 0.918 46 81.81 0.914 45 78.69 0.879 159 72.75 0.813 36 72.63 0.811 36
in CDCl3
liquid film
4880 A,200 M,liquid
