4-PHENYL-3-BUTYN-1-OL(10229-11-5) 1H NMR
Product Name4-PHENYL-3-BUTYN-1-OL
CAS10229-11-5
Molecular FormulaC10H10O
Molecular Weight146.19
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2
InChIKey IBHSROAJVVUWSC-UHFFFAOYSA-N
SmilesC(O)CC#CC1=CC=CC=C1
-
MassMS-IW-4781 4-phenyl-3-butyn-1-ol C10H10O (Mass of molecular ion: 146)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 28.0 1.1 31.0 3.1 39.0 3.8 50.0 2.4 51.0 4.4 62.0 2.6 63.0 7.7 64.0 1.6 65.0 4.8 74.0 2.2 75.0 2.7 76.0 1.8 77.0 3.6 78.0 1.4 86.0 1.1 87.0 1.7 88.0 1.8 89.0 9.1 90.0 1.0 91.0 1.8 102.0 4.9 103.0 1.3 105.0 3.0 113.0 2.1 114.0 3.0 115.0 100.0 116.0 46.4 117.0 7.4 118.0 1.8 126.0 1.3 127.0 4.8 128.0 17.6 129.0 2.8 131.0 1.7 145.0 4.6 146.0 45.4 147.0 5.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H10 O 0.05 ml : 0.5 ml CDCl3 4-phenyl-3-butyn-1-ol 
Assign. Shift(ppm)
A 7.407 B 7.26 C 3.775 D 3.37 E 2.644
Hz ppm Int.2969.36 7.430 42 2965.33 7.420 288 2963.75 7.416 209 2962.16 7.412 292 2961.30 7.410 292 2959.96 7.407 296 2958.50 7.403 325 2957.28 7.400 254 2955.69 7.396 364 2951.66 7.386 70 2909.91 7.282 41 2907.10 7.275 119 2906.49 7.273 124 2905.27 7.270 257 2904.79 7.269 255 2903.44 7.265 727 2901.98 7.262 397 2901.25 7.260 443 2900.15 7.257 718 2899.05 7.254 426 2896.97 7.249 685 2895.63 7.246 205 2892.94 7.239 88 2892.58 7.238 87 1515.14 3.792 491 1508.67 3.775 1000 1502.20 3.759 487 1346.68 3.370 61 1062.99 2.660 429 1056.52 2.644 818 1050.05 2.628 394
in CDCl3
liquid film
