3-Phenyl-1-propanol(122-97-4) MS
Product Name3-Phenyl-1-propanol
CAS122-97-4
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey VAJVDSVGBWFCLW-UHFFFAOYSA-N
SmilesC1(CCCO)=CC=CC=C1
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MassMS-NW-0657 3-phenyl-1-propanol C9H12O (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 17.0 1.4 18.0 4.6 26.0 1.7 27.0 13.6 28.0 1.6 29.0 4.8 31.0 12.4 37.0 1.3 38.0 3.3 39.0 21.6 40.0 1.9 41.0 5.1 43.0 2.1 44.0 1.0 45.0 2.0 50.0 9.3 51.0 22.8 52.0 5.7 53.0 3.2 57.0 1.7 58.0 1.1 61.0 1.3 62.0 3.7 63.0 10.2 64.0 2.4 65.0 25.7 66.0 2.2 74.0 2.8 75.0 2.2 76.0 2.2 77.0 26.9 78.0 19.6 79.0 18.3 80.0 1.5 89.0 5.6 90.0 3.0 91.0 100.0 92.0 44.4 93.0 3.3 102.0 2.3 103.0 14.7 104.0 7.0 105.0 15.4 106.0 1.5 107.0 1.5 115.0 8.3 116.0 3.2 117.0 79.6 118.0 61.8 119.0 5.8 136.0 14.6 137.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.04 ml : 0.5 ml CDCl3 3-phenyl-1-propanol 
Assign. Shift(ppm)
A 7.04 to 7.39 B 3.625 C 2.674 D 2.02 E 1.87
Hz ppm Int.658.75 7.356 51 656.25 7.328 32 655.38 7.318 34 653.44 7.297 52 651.81 7.278 80 650.63 7.265 160 648.31 7.239 176 646.38 7.218 1000 645.19 7.204 997 641.75 7.166 146 641.19 7.160 126 640.06 7.147 81 639.31 7.139 96 638.63 7.131 69 637.69 7.121 87 331.38 3.701 312 324.94 3.629 730 318.50 3.557 382 248.00 2.770 144 240.94 2.691 278 238.69 2.666 147 232.69 2.599 242 181.00 2.021 535 174.56 1.950 179 173.94 1.943 162 172.50 1.927 120 168.25 1.879 138 167.88 1.875 137 165.63 1.850 215 161.81 1.807 59 159.25 1.779 160 152.88 1.708 44 151.81 1.696 44
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
