Phenylpropiolaldehyde(2579-22-8) Raman
Product NamePhenylpropiolaldehyde
CAS2579-22-8
Molecular FormulaC9H6O
Molecular Weight130.14
InChIInChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChIKey IDASOVSVRKONFS-UHFFFAOYSA-N
SmilesC(=O)C#CC1=CC=CC=C1
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MassMS-IW-9636 phenylpropiolaldehyde C9H6O (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.4 28.0 1.4 29.0 1.4 37.0 2.8 38.0 2.7 39.0 5.4 49.0 3.2 50.0 16.1 50.5 1.0 51.0 26.8 52.0 8.2 53.0 1.1 61.0 4.0 62.0 6.6 63.0 9.1 64.0 1.1 64.5 6.1 73.0 3.0 74.0 17.9 75.0 28.2 76.0 22.9 77.0 6.8 85.0 1.1 86.0 1.7 87.0 2.1 97.0 1.0 98.0 4.1 99.0 1.5 100.0 1.0 101.0 14.6 102.0 94.2 103.0 8.7 105.0 1.7 129.0 93.7 130.0 100.0 131.0 10.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H6 O 0.05 ml : 0.5 ml CDCl3 phenylpropiolaldehyde 
Assign. Shift(ppm)
A 9.396 B 7.576 C 7.462 D 7.376
Hz ppm Int.3755.34 9.397 1000 3034.52 7.593 89 3032.99 7.590 330 3031.62 7.586 413 3029.94 7.582 191 3026.73 7.574 159 3024.60 7.569 515 3023.22 7.565 404 2992.71 7.489 62 2991.33 7.485 108 2989.96 7.482 64 2986.15 7.472 93 2983.86 7.467 256 2981.72 7.461 92 2977.75 7.451 146 2976.38 7.448 227 2975.01 7.445 113 2956.54 7.398 116 2954.86 7.394 349 2953.49 7.391 162 2948.46 7.378 308 2947.24 7.375 476 2945.56 7.371 142 2943.57 7.366 32 2941.59 7.361 97 2940.06 7.357 218 2939.00 7.354 130
in CDCl3
liquid film
