4-PHENYL-3-BUTYN-2-ONE(1817-57-8) IR1
Product Name4-PHENYL-3-BUTYN-2-ONE
CAS1817-57-8
Molecular FormulaC10H8O
Molecular Weight144.17
InChIInChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
InChIKey UPEUQDJSUFHFQP-UHFFFAOYSA-N
SmilesCC(=O)C#CC1=CC=CC=C1
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MassMS-IW-2408 4-phenyl-3-butyn-2-one C10H8O (Mass of molecular ion: 144)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.8 43.0 2.1 50.0 3.1 51.0 7.1 52.0 1.1 58.0 1.3 61.0 1.2 62.0 2.0 63.0 3.1 64.5 4.0 74.0 5.4 75.0 12.2 76.0 2.6 77.0 2.5 89.0 1.0 98.0 1.3 101.0 5.9 102.0 3.4 115.0 4.0 129.0 100.0 130.0 10.2 144.0 23.6 145.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C10H8O 0.05 ml : 0.5 ml CDCl3 4-phenyl-3-butyn-2-one 
Assign. Shift(ppm)
A 7.556 B 7.435 C 7.369 D 2.434
Hz ppm Int.3027.23 7.573 34 3025.40 7.568 158 3024.17 7.565 192 3023.44 7.563 87 3022.59 7.561 97 3019.29 7.553 71 3017.22 7.548 258 3015.63 7.544 202 2982.92 7.462 26 2981.57 7.458 48 2980.11 7.455 29 2976.57 7.446 37 2974.25 7.440 119 2971.81 7.434 42 2968.02 7.425 74 2966.68 7.421 117 2965.21 7.418 58 2953.25 7.388 47 2952.03 7.385 133 2951.30 7.383 181 2949.96 7.379 82 2945.20 7.367 143 2943.73 7.364 210 2942.02 7.360 64 2938.12 7.350 44 2936.65 7.346 105 2935.31 7.343 58 975.47 2.440 62 972.78 2.434 1000 969.12 2.425 31
in CDCl3
liquid film
