4,6-DECADIYNE(16387-71-6) 1H NMR
Product Name4,6-DECADIYNE
CAS16387-71-6
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3
InChIKey LIWZSNTUMSGWTF-UHFFFAOYSA-N
SmilesCCCC#CC#CCCC
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MassMS-NW-7131 4,6-decadiyne C10H14 (Mass of molecular ion: 134)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.4 18.0 3.5 26.0 2.7 27.0 29.3 28.0 9.3 29.0 15.8 31.0 1.3 32.0 1.8 37.0 1.2 38.0 2.5 39.0 20.6 40.0 3.9 41.0 37.9 42.0 5.9 43.0 11.1 44.0 4.8 45.0 2.6 50.0 11.2 51.0 19.1 52.0 4.7 53.0 10.7 54.0 1.8 55.0 11.8 57.0 3.8 58.0 1.1 60.0 14.2 61.0 2.0 62.0 5.9 63.0 23.6 64.0 5.8 65.0 18.0 66.0 5.5 67.0 9.0 68.0 1.5 69.0 1.6 70.0 1.2 71.0 7.0 73.0 5.5 74.0 7.2 75.0 9.0 76.0 8.2 77.0 61.7 78.0 15.3 79.0 48.6 80.0 6.1 81.0 2.2 86.0 1.8 87.0 2.5 88.0 1.0 89.0 6.4 90.0 2.3 91.0 100.0 92.0 11.6 93.0 9.9 94.0 1.1 95.0 2.2 96.0 3.6 97.0 1.1 98.0 1.0 102.0 2.7 103.0 23.1 104.0 10.3 105.0 33.5 106.0 6.4 107.0 1.8 115.0 5.9 116.0 1.8 117.0 10.8 118.0 2.0 119.0 17.1 120.0 2.6 121.0 9.2 122.0 1.5 125.0 1.0 132.0 1.2 133.0 2.9 134.0 78.8 135.0 9.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 0.05 ml : 0.5 ml CDCl3 4,6-decadiyne 
Assign. Shift(ppm)
A 2.226 B 1.547 C 0.988
Hz ppm Int.897.58 2.246 266 896.61 2.244 159 890.50 2.229 578 883.54 2.211 290 882.45 2.209 131 638.18 1.597 25 636.84 1.594 49 633.67 1.586 21 629.52 1.576 165 622.44 1.558 318 615.11 1.540 330 608.03 1.522 186 600.83 1.504 50 402.22 1.007 619 394.90 0.989 1000 387.33 0.970 539
in CDCl3
liquid film
