5-PHENYL-1-PENTANOL(10521-91-2) 13C NMR
Product Name5-PHENYL-1-PENTANOL
CAS10521-91-2
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey DPZMVZIQRMVBBW-UHFFFAOYSA-N
SmilesC1(CCCCCO)=CC=CC=C1
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MassMS-NW-5589 5-phenyl-1-pentanol C11H16O (Mass of molecular ion: 164)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.5 28.0 1.4 29.0 2.8 31.0 8.6 39.0 6.9 41.0 5.2 43.0 4.8 50.0 1.6 51.0 5.2 52.0 1.5 53.0 1.3 55.0 9.0 57.0 1.2 63.0 2.6 65.0 12.5 67.0 1.3 68.0 4.7 73.0 1.1 77.0 7.2 78.0 6.6 79.0 5.4 89.0 2.1 90.0 1.1 91.0 100.0 92.0 28.9 93.0 2.4 103.0 4.0 104.0 73.6 105.0 18.7 106.0 1.5 115.0 3.0 116.0 1.0 117.0 47.9 118.0 13.6 119.0 1.4 131.0 6.1 145.0 2.4 146.0 43.2 147.0 5.4 164.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H16 O 0.04 ml : 0.5 ml CDCl3 5-phenyl-1-pentanol 
Assign. Shift(ppm)
A 7.45 to 6.98 B 3.62 C 2.61 D 1.88 to 1.17 E 1.40
Hz ppm Int.651.31 7.273 119 648.31 7.239 201 646.31 7.217 541 644.56 7.197 546 641.75 7.166 70 641.19 7.160 91 640.69 7.154 81 639.25 7.138 55 638.56 7.130 65 637.88 7.123 49 637.06 7.114 63 330.63 3.692 86 324.31 3.622 327 318.06 3.552 154 242.19 2.705 63 235.25 2.627 134 227.44 2.540 124 156.19 1.744 66 154.44 1.725 52 149.56 1.670 106 148.69 1.661 95 147.13 1.643 79 146.69 1.638 78 145.69 1.627 71 143.13 1.599 135 141.88 1.585 119 141.44 1.580 119 140.69 1.571 126 139.56 1.559 104 136.44 1.524 164 134.63 1.504 157 133.13 1.487 161 132.06 1.475 125 130.94 1.463 93 129.13 1.442 80 128.06 1.430 71 125.75 1.405 1000 123.25 1.377 49 122.88 1.373 50
in CDCl3
liquid film
4880 A,200 M,liquid
