1-PHENYL-1-BUTYNE(622-76-4) 13C NMR
Product Name1-PHENYL-1-BUTYNE
CAS622-76-4
Molecular FormulaC10H10
Molecular Weight130.19
InChIInChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3
InChIKey FFFMSANAQQVUJA-UHFFFAOYSA-N
SmilesC1(C#CCC)=CC=CC=C1
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MassMS-IW-3677 1-phenyl-1-butyne C10H10 (Mass of molecular ion: 130)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.4 39.0 5.0 50.0 4.6 51.0 10.5 52.0 2.2 61.0 1.4 62.0 3.9 63.0 11.2 63.5 1.3 64.0 8.3 64.5 1.4 65.0 4.8 74.0 4.3 75.0 4.5 76.0 3.2 77.0 7.1 78.0 2.2 86.0 1.7 87.0 2.6 88.0 2.0 89.0 7.5 91.0 1.7 98.0 1.2 101.0 1.4 102.0 6.7 103.0 2.4 113.0 2.3 114.0 2.9 115.0 100.0 116.0 10.5 126.0 2.6 127.0 14.2 128.0 30.9 129.0 61.1 130.0 81.5 131.0 8.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 0.05 ml : 0.5 ml CDCl3 1-phenyl-1-butyne 
Assign. Shift(ppm)
A 7.388 B 7.27 to 7.20 C 2.389 D 1.212
Hz ppm Int.2958.50 7.403 192 2956.18 7.397 149 2955.32 7.395 150 2954.22 7.393 105 2953.37 7.390 106 2950.56 7.383 277 2948.73 7.379 276 2946.78 7.374 41 2945.92 7.372 50 2906.01 7.272 48 2905.27 7.270 33 2904.17 7.267 34 2901.73 7.261 84 2900.15 7.257 77 2897.22 7.250 216 2896.61 7.248 252 2896.00 7.247 183 2894.90 7.244 165 2893.55 7.241 169 2890.87 7.234 451 2889.40 7.230 447 2886.47 7.223 125 2885.86 7.221 96 2884.40 7.218 72 966.55 2.419 145 958.98 2.400 434 951.42 2.381 446 943.97 2.362 172 491.94 1.231 573 484.38 1.213 1000 481.20 1.205 45 476.93 1.194 597
in CDCl3
liquid film
