3-PHENYL-1-BUTANOL(2722-36-3) MS
Product Name3-PHENYL-1-BUTANOL
CAS2722-36-3
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey SQGBBDFDRHDJCJ-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(C)CCO
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MassMS-NW-5575 3-phenyl-1-butanol C10H14O (Mass of molecular ion: 150)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.2 31.0 4.1 39.0 5.3 41.0 5.1 50.0 2.1 51.0 6.8 52.0 1.7 53.0 1.4 63.0 2.1 65.0 3.1 77.0 14.0 78.0 6.6 79.0 13.0 89.0 1.0 91.0 24.6 92.0 2.2 102.0 1.1 103.0 8.7 104.0 5.6 105.0 100.0 106.0 23.0 107.0 2.1 115.0 3.2 116.0 1.0 117.0 36.9 118.0 4.1 119.0 1.5 131.0 5.9 132.0 24.5 133.0 3.0 150.0 11.9 151.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 O 0.05 ml : 0.5 ml CDCl3 3-phenyl-1-butanol 
Assign. Shift(ppm)
A 7.28 to 7.09 B 3.469 C 2.83 D 2.33 E 1.796 F 1.238
Hz ppm Int.658.44 7.352 53 655.94 7.325 41 655.13 7.315 44 653.19 7.294 75 650.38 7.262 194 648.00 7.236 242 645.94 7.213 894 644.19 7.193 966 642.13 7.170 266 640.63 7.154 199 638.56 7.130 145 638.13 7.126 143 637.00 7.113 134 632.63 7.064 41 631.69 7.054 45 630.13 7.036 32 317.31 3.543 107 315.00 3.518 69 310.88 3.472 218 307.06 3.429 75 304.31 3.398 130 304.13 3.396 130 264.88 2.958 51 257.69 2.878 106 250.50 2.798 118 243.38 2.718 73 208.06 2.324 189 170.81 1.908 144 164.25 1.834 369 160.50 1.793 45 157.00 1.754 293 152.63 1.705 32 152.25 1.700 32 150.19 1.677 105 114.25 1.276 1000 107.31 1.199 901
in CDCl3
liquid film
4880 A,200 M,liquid
