3-PHENYL-2-PROPYN-1-OL(1504-58-1) IR1
Product Name3-PHENYL-2-PROPYN-1-OL
CAS1504-58-1
Molecular FormulaC9H8O
Molecular Weight132.16
InChIInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
InChIKey NITUNGCLDSFVDL-UHFFFAOYSA-N
SmilesC(O)C#CC1=CC=CC=C1
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MassMS-IW-4782 3-phenyl-2-propyn-1-ol C9H8O (Mass of molecular ion: 132)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 27.0 1.9 28.0 1.7 29.0 4.1 30.0 2.1 37.0 1.3 38.0 1.8 39.0 5.9 49.0 1.3 50.0 9.3 51.0 19.2 51.5 1.0 52.0 6.3 53.0 1.7 54.0 1.0 55.0 2.2 57.5 1.2 61.0 2.3 62.0 5.5 63.0 11.5 64.0 1.5 65.0 4.9 65.5 3.4 66.0 1.3 73.0 1.3 74.0 8.2 75.0 8.9 76.0 13.0 77.0 37.5 78.0 22.1 79.0 1.6 85.0 1.0 86.0 2.0 87.0 2.7 88.0 2.2 89.0 6.1 91.0 2.2 98.0 1.9 101.0 3.1 102.0 43.3 103.0 53.2 104.0 25.5 105.0 5.1 113.0 2.5 114.0 3.1 115.0 26.5 116.0 5.6 129.0 3.3 130.0 1.3 131.0 100.0 132.0 66.3 133.0 6.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H8 O 0.05 ml : 0.5 ml CDCl3 3-phenyl-2-propyn-1-ol 
Assign. Shift(ppm)
A 7.425 B 7.26 C 4.486 D 3.6
Hz ppm Int.2975.22 7.445 65 2972.29 7.438 394 2970.58 7.433 439 2968.87 7.429 220 2968.02 7.427 199 2967.04 7.425 202 2965.45 7.421 355 2964.97 7.419 358 2962.65 7.414 490 2958.50 7.403 37 2918.82 7.304 33 2917.24 7.300 53 2915.53 7.296 46 2910.64 7.283 152 2909.18 7.280 186 2907.35 7.275 174 2905.88 7.272 463 2904.91 7.269 704 2903.93 7.267 689 2902.59 7.263 421 2901.49 7.261 371 2899.17 7.255 275 2898.19 7.252 340 2897.46 7.250 410 2896.97 7.249 402 2894.90 7.244 97 2894.29 7.243 98 2893.68 7.241 109 2892.09 7.237 142 2890.14 7.232 73 2888.31 7.228 86 2887.45 7.225 56 1793.21 4.487 1000 1435.30 3.592 75
in CDCl3
liquid film
